N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine

C46H110N12 — CID 159678925

IUPACN-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
SMILESCCNCCCCCNCCCCNCCCCNCC.CCNCCCCNCCCCNCCCNCC.CCNCCCCNCCCNCCCNCC
InChIInChI=1S/C17H40N4.C15H36N4.C14H34N4/c1-3-18-12-6-5-7-14-20-16-10-11-17-21-15-9-8-13-19-4-2;1-3-16-10-5-6-11-18-12-7-8-13-19-15-9-14-17-4-2;1-3-15-9-5-6-10-17-13-8-14-18-12-7-11-16-4-2/h18-21H,3-17H2,1-2H3;16-19H,3-15H2,1-2H3;15-18H,3-14H2,1-2H3
InChIKeyMUYTWNDGHRVGHQ-UHFFFAOYSA-N
MW831.47 g/mol
LogP4.40
Rot. Bonds49

About N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine

N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine (PubChem CID 159678925) has the molecular formula C46H110N12 and a molecular weight of 831.47 g/mol. Its IUPAC name is N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
PubChem CID159678925
Molecular FormulaC46H110N12
Molecular Weight831.47 g/mol
Exact Mass830.90
IUPAC NameN-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
SMILESCCNCCCCCNCCCCNCCCCNCC.CCNCCCCNCCCCNCCCNCC.CCNCCCCNCCCNCCCNCC
InChIInChI=1S/C17H40N4.C15H36N4.C14H34N4/c1-3-18-12-6-5-7-14-20-16-10-11-17-21-15-9-8-13-19-4-2;1-3-16-10-5-6-11-18-12-7-8-13-19-15-9-14-17-4-2;1-3-15-9-5-6-10-17-13-8-14-18-12-7-11-16-4-2/h18-21H,3-17H2,1-2H3;16-19H,3-15H2,1-2H3;15-18H,3-14H2,1-2H3
InChIKeyMUYTWNDGHRVGHQ-UHFFFAOYSA-N
XLogP4.40
TPSA144.36 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds49
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500831.47
LogP ≤ 54.40
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine with MolForge

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Related Compounds

N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
N,N'-diethylpentane-1,5-diamine
CID 15013244
N-ethyl-N'-hexadecylpropane-1,3-diamine
CID 46736046
N-ethyl-N'-octadecylpropane-1,3-diamine
CID 175605866
N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine
CID 19698839
N'-butyl-N-ethylnonane-1,9-diamine
CID 138750457
N-ethyl-N'-hexylethane-1,2-diamine
CID 7171940
N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide
CID 162339984
N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 58965168
N-ethyl-N'-propylbutane-1,4-diamine
CID 54079202
N-ethyltetradecan-1-amine;hydrochloride
CID 174740266

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine?
The IUPAC name of N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine (CID 159678925) is N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine.
What is the SMILES notation for N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine?
The canonical SMILES for N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine is CCNCCCCCNCCCCNCCCCNCC.CCNCCCCNCCCCNCCCNCC.CCNCCCCNCCCNCCCNCC.
What is the InChIKey of N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine?
The InChIKey is MUYTWNDGHRVGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40N4.C15H36N4.C14H34N4/c1-3-18-12-6-5-7-14-20-16-10-11-17-21-15-9-8-13-19-4-2;1-3-16-10-5-6-11-18-12-7-8-13-19-15-9-14-17-4-2;1-3-15-9-5-6-10-17-13-8-14-18-12-7-11-16-4-2/h18-21H,3-17H2,1-2H3;16-19H,3-15H2,1-2H3;15-18H,3-14H2,1-2H3.
What are the key properties of N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine?
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine has a molecular weight of 831.47 g/mol, XLogP of 4.40, 49 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine is sourced from PubChem (CID 159678925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).