3-(1,4-diazepan-2-yl)propan-1-amine

C8H19N3 — CID 173025017

IUPAC3-(1,4-diazepan-2-yl)propan-1-amine
SMILESNCCCC1CNCCCN1
InChIInChI=1S/C8H19N3/c9-4-1-3-8-7-10-5-2-6-11-8/h8,10-11H,1-7,9H2
InChIKeyWJAQDBWMRQUOAV-UHFFFAOYSA-N
MW157.26 g/mol
LogP-0.32
Rot. Bonds3

About 3-(1,4-diazepan-2-yl)propan-1-amine

3-(1,4-diazepan-2-yl)propan-1-amine (PubChem CID 173025017) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-(1,4-diazepan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1,4-diazepan-2-yl)propan-1-amine
PubChem CID173025017
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name3-(1,4-diazepan-2-yl)propan-1-amine
SMILESNCCCC1CNCCCN1
InChIInChI=1S/C8H19N3/c9-4-1-3-8-7-10-5-2-6-11-8/h8,10-11H,1-7,9H2
InChIKeyWJAQDBWMRQUOAV-UHFFFAOYSA-N
XLogP-0.32
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

dichloromanganese;methane;4-[(2S)-1,4,7,10,13-pentazacyclopentadec-2-yl]butan-1-amine
CID 161252729
2-(3-methylbutyl)-1,4-diazepane
CID 175901768
2-(1,4-diazepan-2-yl)-N-methylethanamine
CID 23090221
(2R)-2-butylpiperazine
CID 11182666
1,4,8,11-tetrazacyclotetradec-2-ylmethanol;tetrahydrobromide
CID 19755995
2-prop-2-enyl-(313C)1,4-diazepane
CID 173137374
2-octadecylpiperazine
CID 155671137
[(2S)-1,4,7,10-tetrazacyclododec-2-yl]methanamine
CID 129386497
2-pyrrolidin-2-ylethanamine
CID 14030009
3-[(1R,3R,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecan-3-yl]propan-1-amine
CID 58758491
(2R)-2-(2-bromoethyl)piperazine
CID 69174498
3-[(2R)-morpholin-2-yl]propan-1-amine
CID 92954644

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-diazepan-2-yl)propan-1-amine?
The IUPAC name of 3-(1,4-diazepan-2-yl)propan-1-amine (CID 173025017) is 3-(1,4-diazepan-2-yl)propan-1-amine.
What is the SMILES notation for 3-(1,4-diazepan-2-yl)propan-1-amine?
The canonical SMILES for 3-(1,4-diazepan-2-yl)propan-1-amine is NCCCC1CNCCCN1.
What is the InChIKey of 3-(1,4-diazepan-2-yl)propan-1-amine?
The InChIKey is WJAQDBWMRQUOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c9-4-1-3-8-7-10-5-2-6-11-8/h8,10-11H,1-7,9H2.
What are the key properties of 3-(1,4-diazepan-2-yl)propan-1-amine?
3-(1,4-diazepan-2-yl)propan-1-amine has a molecular weight of 157.26 g/mol, XLogP of -0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-diazepan-2-yl)propan-1-amine is sourced from PubChem (CID 173025017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).