2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine

C7H14N2 — CID 12778911

IUPAC2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC1CCCCC(N)=N1
InChIInChI=1S/C7H14N2/c1-6-4-2-3-5-7(8)9-6/h6H,2-5H2,1H3,(H2,8,9)
InChIKeyLRRNPDDMZCKORO-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.31
Rot. Bonds

About 2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine

2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 12778911) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound Name2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID12778911
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC1CCCCC(N)=N1
InChIInChI=1S/C7H14N2/c1-6-4-2-3-5-7(8)9-6/h6H,2-5H2,1H3,(H2,8,9)
InChIKeyLRRNPDDMZCKORO-UHFFFAOYSA-N
XLogP1.31
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 12778912
7-ethoxy-2-methyl-3,4,5,6-tetrahydro-2H-azepine
CID 45090927
5-methyl-2,5,6,7-tetrahydro-1H-1,4-diazepin-3-amine;dihydrochloride
CID 67761525
2-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 45259666
2-(cyclohexylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 10799502
(3R)-3-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 10797080
(2R)-2-[(Z,5R)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59924289
(2S)-2-[(E,5R)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59908785
acetylene;2-[(Z)-hex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 142113436
2-benzyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 15406765
4-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine
CID 123976121
3-methyl-3,6-dihydro-2H-1,4-thiazin-5-amine
CID 45078881

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of 2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 12778911) is 2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for 2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for 2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine is CC1CCCCC(N)=N1.
What is the InChIKey of 2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is LRRNPDDMZCKORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6-4-2-3-5-7(8)9-6/h6H,2-5H2,1H3,(H2,8,9).
What are the key properties of 2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 126.20 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 12778911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).