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

C7H14N2 — CID 18428468

IUPAC5-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC1CCCN=C(N)C1
InChIInChI=1S/C7H14N2/c1-6-3-2-4-9-7(8)5-6/h6H,2-5H2,1H3,(H2,8,9)
InChIKeyDXYQDDACRUQCCU-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.16
Rot. Bonds

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

5-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 18428468) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 5-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound Name5-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID18428468
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name5-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC1CCCN=C(N)C1
InChIInChI=1S/C7H14N2/c1-6-3-2-4-9-7(8)5-6/h6H,2-5H2,1H3,(H2,8,9)
InChIKeyDXYQDDACRUQCCU-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of 5-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 18428468) is 5-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for 5-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for 5-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine is CC1CCCN=C(N)C1.
What is the InChIKey of 5-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is DXYQDDACRUQCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6-3-2-4-9-7(8)5-6/h6H,2-5H2,1H3,(H2,8,9).
What are the key properties of 5-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
5-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 126.20 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 18428468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).