5-propyl-4H-azepin-7-amine

C9H14N2 — CID 123551109

IUPAC5-propyl-4H-azepin-7-amine
SMILESCCCC1=CC(N)=NC=CC1
InChIInChI=1S/C9H14N2/c1-2-4-8-5-3-6-11-9(10)7-8/h3,6-7H,2,4-5H2,1H3,(H2,10,11)
InChIKeyXQRFHONDKGDODY-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.99
Rot. Bonds2

About 5-propyl-4H-azepin-7-amine

5-propyl-4H-azepin-7-amine (PubChem CID 123551109) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-propyl-4H-azepin-7-amine.

Molecular Properties

Compound Name5-propyl-4H-azepin-7-amine
PubChem CID123551109
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-propyl-4H-azepin-7-amine
SMILESCCCC1=CC(N)=NC=CC1
InChIInChI=1S/C9H14N2/c1-2-4-8-5-3-6-11-9(10)7-8/h3,6-7H,2,4-5H2,1H3,(H2,10,11)
InChIKeyXQRFHONDKGDODY-UHFFFAOYSA-N
XLogP1.99
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Allyl-4-methyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneamine
CID 44313353
4H-azepin-7-amine
CID 54474925
(E)-N'-ethenyl-3,4,4-trimethylpent-2-enimidamide
CID 88565109
4-methyl-4H-azepin-7-amine
CID 89012973
5-ethenyl-3-ethyl-4H-azepin-7-amine
CID 89627152
5-ethyl-6-methyl-4H-azepin-7-amine
CID 91252481
(E)-3-cyclopropyl-N'-ethenylbut-2-enimidamide
CID 123263863
5,5-Dimethylazepin-2-amine
CID 123272233
5-methyl-4H-azepin-7-amine
CID 123759208
4-Methyl-4,5-dihydroazocin-8-amine
CID 123954773
(E)-N'-[(Z)-prop-1-enyl]-2-propylpent-2-enimidamide
CID 129060096
(Z)-N'-ethenylpent-2-enimidamide
CID 138668029

Frequently Asked Questions

What is the IUPAC name of 5-propyl-4H-azepin-7-amine?
The IUPAC name of 5-propyl-4H-azepin-7-amine (CID 123551109) is 5-propyl-4H-azepin-7-amine.
What is the SMILES notation for 5-propyl-4H-azepin-7-amine?
The canonical SMILES for 5-propyl-4H-azepin-7-amine is CCCC1=CC(N)=NC=CC1.
What is the InChIKey of 5-propyl-4H-azepin-7-amine?
The InChIKey is XQRFHONDKGDODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-4-8-5-3-6-11-9(10)7-8/h3,6-7H,2,4-5H2,1H3,(H2,10,11).
What are the key properties of 5-propyl-4H-azepin-7-amine?
5-propyl-4H-azepin-7-amine has a molecular weight of 150.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-4H-azepin-7-amine is sourced from PubChem (CID 123551109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).