3H-azepin-5-ylmethanamine

C7H10N2 — CID 143441233

IUPAC3H-azepin-5-ylmethanamine
SMILESNCC1=CCC=NC=C1
InChIInChI=1S/C7H10N2/c8-6-7-2-1-4-9-5-3-7/h2-5H,1,6,8H2
InChIKeySGCLWAWQITYOPN-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.86
Rot. Bonds1

About 3H-azepin-5-ylmethanamine

3H-azepin-5-ylmethanamine (PubChem CID 143441233) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 3H-azepin-5-ylmethanamine.

Molecular Properties

Compound Name3H-azepin-5-ylmethanamine
PubChem CID143441233
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name3H-azepin-5-ylmethanamine
SMILESNCC1=CCC=NC=C1
InChIInChI=1S/C7H10N2/c8-6-7-2-1-4-9-5-3-7/h2-5H,1,6,8H2
InChIKeySGCLWAWQITYOPN-UHFFFAOYSA-N
XLogP0.86
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-3H-azepine
CID 54476230
3-(3H-azepin-5-yl)propan-1-amine
CID 57125134
2H-pyridin-3-ylidenemethanamine
CID 67496117
(E)-2H-pyridin-3-ylidenemethanamine
CID 70073427
(1Z)-2-[(Z)-(2-methylidene-3-pyridinylidene)methyl]buta-1,3-dien-1-amine
CID 88962072
(E,3E)-3-(3-methylidene-2-pyridinylidene)prop-1-en-1-amine
CID 89153869
(E)-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]methanamine
CID 89227410
(Z,3Z)-3-(2-methylidene-3-pyridinylidene)prop-1-en-1-amine
CID 89272141
(3-methyl-2H-pyridin-5-ylidene)methanamine
CID 90464493
2H-azepin-5-ylmethanamine
CID 91465230
4-methyl-3H-azepine
CID 91505330
3-Methylazepin-3-amine
CID 123242780

Frequently Asked Questions

What is the IUPAC name of 3H-azepin-5-ylmethanamine?
The IUPAC name of 3H-azepin-5-ylmethanamine (CID 143441233) is 3H-azepin-5-ylmethanamine.
What is the SMILES notation for 3H-azepin-5-ylmethanamine?
The canonical SMILES for 3H-azepin-5-ylmethanamine is NCC1=CCC=NC=C1.
What is the InChIKey of 3H-azepin-5-ylmethanamine?
The InChIKey is SGCLWAWQITYOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c8-6-7-2-1-4-9-5-3-7/h2-5H,1,6,8H2.
What are the key properties of 3H-azepin-5-ylmethanamine?
3H-azepin-5-ylmethanamine has a molecular weight of 122.17 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-azepin-5-ylmethanamine is sourced from PubChem (CID 143441233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).