3,6,6-trimethylazepin-2-amine

C9H14N2 — CID 142606851

IUPAC3,6,6-trimethylazepin-2-amine
SMILESCC1=C(N)N=CC(C)(C)C=C1
InChIInChI=1S/C9H14N2/c1-7-4-5-9(2,3)6-11-8(7)10/h4-6H,10H2,1-3H3
InChIKeySNSIPXWRZLNRPU-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.84
Rot. Bonds

About 3,6,6-trimethylazepin-2-amine

3,6,6-trimethylazepin-2-amine (PubChem CID 142606851) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3,6,6-trimethylazepin-2-amine.

Molecular Properties

Compound Name3,6,6-trimethylazepin-2-amine
PubChem CID142606851
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3,6,6-trimethylazepin-2-amine
SMILESCC1=C(N)N=CC(C)(C)C=C1
InChIInChI=1S/C9H14N2/c1-7-4-5-9(2,3)6-11-8(7)10/h4-6H,10H2,1-3H3
InChIKeySNSIPXWRZLNRPU-UHFFFAOYSA-N
XLogP1.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,6-Trimethylazepine
CID 91106496
(Z)-2-(6-methylideneazepin-3-yl)but-2-en-1-imine
CID 129225444
(1Z,3Z)-1-[(Z)-ethylideneamino]-2-prop-1-en-2-ylpenta-1,3-dien-1-amine
CID 129312448
5-ethenyl-6-[(Z)-prop-1-enyl]-2H-1,3-diazepine
CID 139304201
3,3,6,7-Tetramethylazepine
CID 141793866
2-(Ethyliminomethyl)-5,5-dimethylcyclohepta-1,3,6-trien-1-amine
CID 141841980
N,6,6-trimethylazepin-2-amine
CID 141989137
(1E,3Z,5E)-2-(6,6-dimethylazepin-3-yl)hepta-1,3,5-trien-1-amine;ethane
CID 142157795
3-methyl-3H-azepin-7-amine
CID 142943379
3-Tert-butyl-6-methyl-6-propan-2-ylazepin-2-amine;methane
CID 143243958
3-ethenyl-N,6,6-trimethylazepin-2-amine
CID 143533139
Ethane;6-ethyl-6-methylazepin-2-amine
CID 143876733

Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethylazepin-2-amine?
The IUPAC name of 3,6,6-trimethylazepin-2-amine (CID 142606851) is 3,6,6-trimethylazepin-2-amine.
What is the SMILES notation for 3,6,6-trimethylazepin-2-amine?
The canonical SMILES for 3,6,6-trimethylazepin-2-amine is CC1=C(N)N=CC(C)(C)C=C1.
What is the InChIKey of 3,6,6-trimethylazepin-2-amine?
The InChIKey is SNSIPXWRZLNRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-4-5-9(2,3)6-11-8(7)10/h4-6H,10H2,1-3H3.
What are the key properties of 3,6,6-trimethylazepin-2-amine?
3,6,6-trimethylazepin-2-amine has a molecular weight of 150.22 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethylazepin-2-amine is sourced from PubChem (CID 142606851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).