3-(3H-azepin-5-yl)propan-1-amine

C9H14N2 — CID 57125134

IUPAC3-(3H-azepin-5-yl)propan-1-amine
SMILESNCCCC1=CCC=NC=C1
InChIInChI=1S/C9H14N2/c10-6-1-3-9-4-2-7-11-8-5-9/h4-5,7-8H,1-3,6,10H2
InChIKeyMOHCHEWQAAQQMP-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.64
Rot. Bonds3

About 3-(3H-azepin-5-yl)propan-1-amine

3-(3H-azepin-5-yl)propan-1-amine (PubChem CID 57125134) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-(3H-azepin-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3H-azepin-5-yl)propan-1-amine
PubChem CID57125134
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-(3H-azepin-5-yl)propan-1-amine
SMILESNCCCC1=CCC=NC=C1
InChIInChI=1S/C9H14N2/c10-6-1-3-9-4-2-7-11-8-5-9/h4-5,7-8H,1-3,6,10H2
InChIKeyMOHCHEWQAAQQMP-UHFFFAOYSA-N
XLogP1.64
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3H-azepin-7-yl)propan-1-amine
CID 90923129
2-(4H-azepin-5-yl)ethanamine
CID 129037495
N-ethenyl-1-(5-ethenyl-4H-azepin-3-yl)methanimine
CID 130351026
(4Z,5Z)-4,5-bis(prop-2-enylidene)-3H-azepine
CID 135225317
9H-1,4-benzodiazepin-8-ylmethanamine
CID 141558848
(5-methyl-3H-azepin-4-yl)methanamine
CID 142030265
2-(4H-azepin-5-yl)-N-methylethanamine
CID 142207046
2-(3H-azepin-5-yl)ethanamine
CID 143110177
2-(4H-azepin-6-yl)ethanamine
CID 143110202
ethane;(3Z)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;pentan-1-amine
CID 143221976
(Z)-2-(5-methyl-4H-azepin-6-yl)ethenamine
CID 143224183
3H-azepin-5-ylmethanamine
CID 143441233

Frequently Asked Questions

What is the IUPAC name of 3-(3H-azepin-5-yl)propan-1-amine?
The IUPAC name of 3-(3H-azepin-5-yl)propan-1-amine (CID 57125134) is 3-(3H-azepin-5-yl)propan-1-amine.
What is the SMILES notation for 3-(3H-azepin-5-yl)propan-1-amine?
The canonical SMILES for 3-(3H-azepin-5-yl)propan-1-amine is NCCCC1=CCC=NC=C1.
What is the InChIKey of 3-(3H-azepin-5-yl)propan-1-amine?
The InChIKey is MOHCHEWQAAQQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c10-6-1-3-9-4-2-7-11-8-5-9/h4-5,7-8H,1-3,6,10H2.
What are the key properties of 3-(3H-azepin-5-yl)propan-1-amine?
3-(3H-azepin-5-yl)propan-1-amine has a molecular weight of 150.22 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-azepin-5-yl)propan-1-amine is sourced from PubChem (CID 57125134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).