3-methyl-3,4-dihydro-2H-azepin-7-amine

C7H12N2 — CID 143009817

IUPAC3-methyl-3,4-dihydro-2H-azepin-7-amine
SMILESCC1CC=CC(N)=NC1
InChIInChI=1S/C7H12N2/c1-6-3-2-4-7(8)9-5-6/h2,4,6H,3,5H2,1H3,(H2,8,9)
InChIKeyBAGGVLBNGUWEKX-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.94
Rot. Bonds

About 3-methyl-3,4-dihydro-2H-azepin-7-amine

3-methyl-3,4-dihydro-2H-azepin-7-amine (PubChem CID 143009817) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3-methyl-3,4-dihydro-2H-azepin-7-amine.

Molecular Properties

Compound Name3-methyl-3,4-dihydro-2H-azepin-7-amine
PubChem CID143009817
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3-methyl-3,4-dihydro-2H-azepin-7-amine
SMILESCC1CC=CC(N)=NC1
InChIInChI=1S/C7H12N2/c1-6-3-2-4-7(8)9-5-6/h2,4,6H,3,5H2,1H3,(H2,8,9)
InChIKeyBAGGVLBNGUWEKX-UHFFFAOYSA-N
XLogP0.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(E)-2-[(3S)-3-methylcyclohexa-1,5-dien-1-yl]prop-1-en-1-amine
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2-chloro-6-methylcyclohexa-1,3-diene
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CID 19795139
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CID 90818653
6-methyl-2-(4-methylcyclohexyl)cyclohexa-1,3-diene
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6-(chloromethyl)-3-methyl-2,3-dihydropyridine
CID 91208172
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CID 123434300
(3Z,5Z)-5-amino-8-methylcycloocta-3,5-dien-1-ol
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-dihydro-2H-azepin-7-amine?
The IUPAC name of 3-methyl-3,4-dihydro-2H-azepin-7-amine (CID 143009817) is 3-methyl-3,4-dihydro-2H-azepin-7-amine.
What is the SMILES notation for 3-methyl-3,4-dihydro-2H-azepin-7-amine?
The canonical SMILES for 3-methyl-3,4-dihydro-2H-azepin-7-amine is CC1CC=CC(N)=NC1.
What is the InChIKey of 3-methyl-3,4-dihydro-2H-azepin-7-amine?
The InChIKey is BAGGVLBNGUWEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-3-2-4-7(8)9-5-6/h2,4,6H,3,5H2,1H3,(H2,8,9).
What are the key properties of 3-methyl-3,4-dihydro-2H-azepin-7-amine?
3-methyl-3,4-dihydro-2H-azepin-7-amine has a molecular weight of 124.19 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydro-2H-azepin-7-amine is sourced from PubChem (CID 143009817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).