N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine

C16H38N4 — CID 19698839

IUPACN'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine
SMILESCCNCCCNCCCCCCCNCCCNC
InChIInChI=1S/C16H38N4/c1-3-18-14-10-16-20-13-8-6-4-5-7-12-19-15-9-11-17-2/h17-20H,3-16H2,1-2H3
InChIKeyTUDXWGWZXVKFRQ-UHFFFAOYSA-N
MW286.51 g/mol
LogP1.73
Rot. Bonds17

About N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine

N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine (PubChem CID 19698839) has the molecular formula C16H38N4 and a molecular weight of 286.51 g/mol. Its IUPAC name is N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine.

Molecular Properties

Compound NameN'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine
PubChem CID19698839
Molecular FormulaC16H38N4
Molecular Weight286.51 g/mol
Exact Mass286.31
IUPAC NameN'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine
SMILESCCNCCCNCCCCCCCNCCCNC
InChIInChI=1S/C16H38N4/c1-3-18-14-10-16-20-13-8-6-4-5-7-12-19-15-9-11-17-2/h17-20H,3-16H2,1-2H3
InChIKeyTUDXWGWZXVKFRQ-UHFFFAOYSA-N
XLogP1.73
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine
CID 165341427
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,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine
CID 165044270
N-ethyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine
CID 170744113
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'-dodecyl-N-methylpropane-1,3-diamine
CID 19812622
N'-hexadecyl-N-methylpropane-1,3-diamine
CID 46736042
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'-butyl-N-ethylnonane-1,9-diamine
CID 138750457

Frequently Asked Questions

What is the IUPAC name of N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine?
The IUPAC name of N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine (CID 19698839) is N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine.
What is the SMILES notation for N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine?
The canonical SMILES for N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine is CCNCCCNCCCCCCCNCCCNC.
What is the InChIKey of N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine?
The InChIKey is TUDXWGWZXVKFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38N4/c1-3-18-14-10-16-20-13-8-6-4-5-7-12-19-15-9-11-17-2/h17-20H,3-16H2,1-2H3.
What are the key properties of N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine?
N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine has a molecular weight of 286.51 g/mol, XLogP of 1.73, 17 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine is sourced from PubChem (CID 19698839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).