4,7,7-trimethyl-3H-azepin-4-amine

C9H16N2 — CID 123535887

IUPAC4,7,7-trimethyl-3H-azepin-4-amine
SMILESCC1(N)C=CC(C)(C)N=CC1
InChIInChI=1S/C9H16N2/c1-8(2)4-5-9(3,10)6-7-11-8/h4-5,7H,6,10H2,1-3H3
InChIKeyGXEFLHMKKYGWDY-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.51
Rot. Bonds

About 4,7,7-trimethyl-3H-azepin-4-amine

4,7,7-trimethyl-3H-azepin-4-amine (PubChem CID 123535887) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4,7,7-trimethyl-3H-azepin-4-amine.

Molecular Properties

Compound Name4,7,7-trimethyl-3H-azepin-4-amine
PubChem CID123535887
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4,7,7-trimethyl-3H-azepin-4-amine
SMILESCC1(N)C=CC(C)(C)N=CC1
InChIInChI=1S/C9H16N2/c1-8(2)4-5-9(3,10)6-7-11-8/h4-5,7H,6,10H2,1-3H3
InChIKeyGXEFLHMKKYGWDY-UHFFFAOYSA-N
XLogP1.51
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(2Z,6Z,10Z)-1,12-dimethylcyclododeca-2,6,10-trien-1-yl]iminobutan-2-amine
CID 117907782
2,3-Dimethyl-5-methyliminopent-3-en-2-amine
CID 123378299
6-imino-3-methyl-2H-azepin-3-amine
CID 123670474
1-N-[(Z)-2-methylpent-3-en-2-yl]propane-1,2-diimine
CID 141810479
6-Ethyl-3,4-dimethylazepin-4-amine
CID 155203155
(4Z)-6-ethylimino-2,3-dimethylhexa-1,4-dien-3-amine
CID 163749175

Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-3H-azepin-4-amine?
The IUPAC name of 4,7,7-trimethyl-3H-azepin-4-amine (CID 123535887) is 4,7,7-trimethyl-3H-azepin-4-amine.
What is the SMILES notation for 4,7,7-trimethyl-3H-azepin-4-amine?
The canonical SMILES for 4,7,7-trimethyl-3H-azepin-4-amine is CC1(N)C=CC(C)(C)N=CC1.
What is the InChIKey of 4,7,7-trimethyl-3H-azepin-4-amine?
The InChIKey is GXEFLHMKKYGWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)4-5-9(3,10)6-7-11-8/h4-5,7H,6,10H2,1-3H3.
What are the key properties of 4,7,7-trimethyl-3H-azepin-4-amine?
4,7,7-trimethyl-3H-azepin-4-amine has a molecular weight of 152.24 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-3H-azepin-4-amine is sourced from PubChem (CID 123535887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).