5-methyl-N-propyl-3H-azepin-3-amine

C10H16N2 — CID 143423740

IUPAC5-methyl-N-propyl-3H-azepin-3-amine
SMILESCCCNC1C=NC=CC(C)=C1
InChIInChI=1S/C10H16N2/c1-3-5-12-10-7-9(2)4-6-11-8-10/h4,6-8,10,12H,3,5H2,1-2H3
InChIKeyCRGXWCMDJUTASN-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.90
Rot. Bonds3

About 5-methyl-N-propyl-3H-azepin-3-amine

5-methyl-N-propyl-3H-azepin-3-amine (PubChem CID 143423740) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-methyl-N-propyl-3H-azepin-3-amine.

Molecular Properties

Compound Name5-methyl-N-propyl-3H-azepin-3-amine
PubChem CID143423740
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-methyl-N-propyl-3H-azepin-3-amine
SMILESCCCNC1C=NC=CC(C)=C1
InChIInChI=1S/C10H16N2/c1-3-5-12-10-7-9(2)4-6-11-8-10/h4,6-8,10,12H,3,5H2,1-2H3
InChIKeyCRGXWCMDJUTASN-UHFFFAOYSA-N
XLogP1.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-N-propyl-3H-azepin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dihydropyrrolo[3,2-c]azepine
CID 129861020
methylidene(propan-2-yl)azanium;N,5,6-trimethylhepta-1,3,5-trien-1-amine
CID 53897608
1,7-Dihydropyrrolo[3,2-c]azepine
CID 56997363
1,5-Dihydropyrrolo[2,3-c]azepine
CID 57325040
1,5,8,8a-Tetrahydropyrrolo[2,3-c]azepine
CID 58443044
[(2Z)-2,3-dimethyl-7-(methylamino)hepta-2,4,6-trienylidene]-propan-2-ylazanium
CID 59970359
2-(2,5-Dihydropyridin-4-yl)-1,2-dihydropyridine
CID 68653775
2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
CID 69190251
N-methyl-2-[(1E,3Z,5Z)-5-methylhepta-1,3,5-trienyl]iminoethanamine
CID 88538338
5-Methyl-1,5-dihydropyrrolo[2,3-c]azepine
CID 89029100
N-(3,4-dihydropyridin-3-ylmethyl)cyclohexa-2,4-dien-1-amine
CID 89245377
6-ethenyl-3-methylidene-5-N-propan-2-ylazepine-2,5-diamine
CID 90126466

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-3H-azepin-3-amine?
The IUPAC name of 5-methyl-N-propyl-3H-azepin-3-amine (CID 143423740) is 5-methyl-N-propyl-3H-azepin-3-amine.
What is the SMILES notation for 5-methyl-N-propyl-3H-azepin-3-amine?
The canonical SMILES for 5-methyl-N-propyl-3H-azepin-3-amine is CCCNC1C=NC=CC(C)=C1.
What is the InChIKey of 5-methyl-N-propyl-3H-azepin-3-amine?
The InChIKey is CRGXWCMDJUTASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-5-12-10-7-9(2)4-6-11-8-10/h4,6-8,10,12H,3,5H2,1-2H3.
What are the key properties of 5-methyl-N-propyl-3H-azepin-3-amine?
5-methyl-N-propyl-3H-azepin-3-amine has a molecular weight of 164.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-3H-azepin-3-amine is sourced from PubChem (CID 143423740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).