N-[3-(ethylamino)propyl]-N'-(2-ethylbutyl)butane-1,4-diamine

C15H35N3 — CID 58965152

IUPACN-[3-(ethylamino)propyl]-N'-(2-ethylbutyl)butane-1,4-diamine
SMILESCCNCCCNCCCCNCC(CC)CC
InChIInChI=1S/C15H35N3/c1-4-15(5-2)14-18-11-8-7-10-17-13-9-12-16-6-3/h15-18H,4-14H2,1-3H3
InChIKeyKREJIGPHDDUQKC-UHFFFAOYSA-N
MW257.47 g/mol
LogP2.38
Rot. Bonds14

About N-[3-(ethylamino)propyl]-N'-(2-ethylbutyl)butane-1,4-diamine

N-[3-(ethylamino)propyl]-N'-(2-ethylbutyl)butane-1,4-diamine (PubChem CID 58965152) has the molecular formula C15H35N3 and a molecular weight of 257.47 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-N'-(2-ethylbutyl)butane-1,4-diamine.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-N'-(2-ethylbutyl)butane-1,4-diamine
PubChem CID58965152
Molecular FormulaC15H35N3
Molecular Weight257.47 g/mol
Exact Mass257.28
IUPAC NameN-[3-(ethylamino)propyl]-N'-(2-ethylbutyl)butane-1,4-diamine
SMILESCCNCCCNCCCCNCC(CC)CC
InChIInChI=1S/C15H35N3/c1-4-15(5-2)14-18-11-8-7-10-17-13-9-12-16-6-3/h15-18H,4-14H2,1-3H3
InChIKeyKREJIGPHDDUQKC-UHFFFAOYSA-N
XLogP2.38
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
N-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine
CID 58965211
4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]-2-[[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]methyl]butane-1-thiol
CID 10129588
N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
N,2-diethylbutan-1-amine;hydrochloride
CID 171379469
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55209612
N'-(2-ethylbutyl)ethane-1,2-diamine
CID 59135539
2-ethyl-N-pentylhexan-1-amine
CID 43081963
N,N'-diethylpentane-1,5-diamine
CID 15013244
N-ethyl-N'-octadecylpropane-1,3-diamine
CID 175605866
N-ethyl-N'-hexadecylpropane-1,3-diamine
CID 46736046

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-N'-(2-ethylbutyl)butane-1,4-diamine?
The IUPAC name of N-[3-(ethylamino)propyl]-N'-(2-ethylbutyl)butane-1,4-diamine (CID 58965152) is N-[3-(ethylamino)propyl]-N'-(2-ethylbutyl)butane-1,4-diamine.
What is the SMILES notation for N-[3-(ethylamino)propyl]-N'-(2-ethylbutyl)butane-1,4-diamine?
The canonical SMILES for N-[3-(ethylamino)propyl]-N'-(2-ethylbutyl)butane-1,4-diamine is CCNCCCNCCCCNCC(CC)CC.
What is the InChIKey of N-[3-(ethylamino)propyl]-N'-(2-ethylbutyl)butane-1,4-diamine?
The InChIKey is KREJIGPHDDUQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3/c1-4-15(5-2)14-18-11-8-7-10-17-13-9-12-16-6-3/h15-18H,4-14H2,1-3H3.
What are the key properties of N-[3-(ethylamino)propyl]-N'-(2-ethylbutyl)butane-1,4-diamine?
N-[3-(ethylamino)propyl]-N'-(2-ethylbutyl)butane-1,4-diamine has a molecular weight of 257.47 g/mol, XLogP of 2.38, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-N'-(2-ethylbutyl)butane-1,4-diamine is sourced from PubChem (CID 58965152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).