7-methyl-3H-azepin-3-amine

C7H10N2 — CID 142031452

IUPAC7-methyl-3H-azepin-3-amine
SMILESCC1=CC=CC(N)C=N1
InChIInChI=1S/C7H10N2/c1-6-3-2-4-7(8)5-9-6/h2-5,7H,8H2,1H3
InChIKeyFVPGXZMUABPZCE-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.86
Rot. Bonds

About 7-methyl-3H-azepin-3-amine

7-methyl-3H-azepin-3-amine (PubChem CID 142031452) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 7-methyl-3H-azepin-3-amine.

Molecular Properties

Compound Name7-methyl-3H-azepin-3-amine
PubChem CID142031452
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name7-methyl-3H-azepin-3-amine
SMILESCC1=CC=CC(N)C=N1
InChIInChI=1S/C7H10N2/c1-6-3-2-4-7(8)5-9-6/h2-5,7H,8H2,1H3
InChIKeyFVPGXZMUABPZCE-UHFFFAOYSA-N
XLogP0.86
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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

6-Fluoro-6-methylazepin-3-amine
CID 178157545
2-(3H-azepin-7-yl)ethanamine
CID 54217416
7-methyl-3H-azepine
CID 54349818
3-(3H-azepin-7-yl)propan-1-amine
CID 90923129
(Z)-4-(propylideneamino)pent-3-en-2-amine
CID 123173282
3-Methylazepin-3-amine
CID 123242780
(E)-3-(3H-azepin-7-yl)-N-methylprop-2-en-1-imine
CID 123362647
(Z)-3-(ethylideneamino)pent-2-en-1-amine
CID 123746712
5-[[(3E,5Z)-4-amino-5-methylhepta-3,5-dienylidene]amino]cyclohepta-1,4,6-trien-1-amine
CID 126495814
N-propyl-3H-azepin-5-amine
CID 129019211
(5Z)-2,7-dihydroazocine-5,6-diamine
CID 131972374
3H-azepine-4,5-diamine
CID 131972387

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3H-azepin-3-amine?
The IUPAC name of 7-methyl-3H-azepin-3-amine (CID 142031452) is 7-methyl-3H-azepin-3-amine.
What is the SMILES notation for 7-methyl-3H-azepin-3-amine?
The canonical SMILES for 7-methyl-3H-azepin-3-amine is CC1=CC=CC(N)C=N1.
What is the InChIKey of 7-methyl-3H-azepin-3-amine?
The InChIKey is FVPGXZMUABPZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-6-3-2-4-7(8)5-9-6/h2-5,7H,8H2,1H3.
What are the key properties of 7-methyl-3H-azepin-3-amine?
7-methyl-3H-azepin-3-amine has a molecular weight of 122.17 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3H-azepin-3-amine is sourced from PubChem (CID 142031452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).