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

C8H16N2 — CID 15453855

IUPAC3,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC1CN=C(N)CC(C)C1
InChIInChI=1S/C8H16N2/c1-6-3-7(2)5-10-8(9)4-6/h6-7H,3-5H2,1-2H3,(H2,9,10)
InChIKeyHCWFFGBRWQAODY-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.41
Rot. Bonds

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

3,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 15453855) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound Name3,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID15453855
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC1CN=C(N)CC(C)C1
InChIInChI=1S/C8H16N2/c1-6-3-7(2)5-10-8(9)4-6/h6-7H,3-5H2,1-2H3,(H2,9,10)
InChIKeyHCWFFGBRWQAODY-UHFFFAOYSA-N
XLogP1.41
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of 3,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 15453855) is 3,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for 3,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for 3,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine is CC1CN=C(N)CC(C)C1.
What is the InChIKey of 3,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is HCWFFGBRWQAODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-6-3-7(2)5-10-8(9)4-6/h6-7H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of 3,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
3,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 140.23 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 15453855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).