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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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).