2,4,6-trimethylazepin-2-amine

C9H14N2 — CID 142254157

IUPAC2,4,6-trimethylazepin-2-amine
SMILESCC1=CC(C)=CC(C)(N)N=C1
InChIInChI=1S/C9H14N2/c1-7-4-8(2)6-11-9(3,10)5-7/h4-6H,10H2,1-3H3
InChIKeyLUQOXMBZOJAVTL-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.64
Rot. Bonds

About 2,4,6-trimethylazepin-2-amine

2,4,6-trimethylazepin-2-amine (PubChem CID 142254157) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2,4,6-trimethylazepin-2-amine.

Molecular Properties

Compound Name2,4,6-trimethylazepin-2-amine
PubChem CID142254157
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2,4,6-trimethylazepin-2-amine
SMILESCC1=CC(C)=CC(C)(N)N=C1
InChIInChI=1S/C9H14N2/c1-7-4-8(2)6-11-9(3,10)5-7/h4-6H,10H2,1-3H3
InChIKeyLUQOXMBZOJAVTL-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3Z)-3-(methyliminomethyl)hexa-1,3-dien-2-amine
CID 60123978
4,6-dimethyl-2H-azepine
CID 121306140
2-methanimidoyl-N-methylcyclohepta-2,4,6-trien-1-imine
CID 123712431
2,2,6-Trimethylazepine
CID 123809857
1-(2H-azepin-6-yl)ethanimine
CID 124014371
(3Z,5E)-4-methanimidoylhepta-1,3,5-trien-3-amine
CID 126633066
(5Z,6E)-6-ethylidene-5-propylidenepyridin-3-amine
CID 126636008
4-Methyl-6-propan-2-yl-1,3-diazepin-4-amine
CID 129239062
2,6-dimethyl-2H-azepine
CID 130183539
(7R)-3,7-dimethyl-2-(methyliminomethyl)cyclohepta-1,3,5-trien-1-amine
CID 130225091
3,6-Dimethylazepin-3-amine
CID 132038084
(2Z,4Z)-1-imino-2,6-dimethylhepta-2,4,6-trien-3-amine
CID 134415586

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethylazepin-2-amine?
The IUPAC name of 2,4,6-trimethylazepin-2-amine (CID 142254157) is 2,4,6-trimethylazepin-2-amine.
What is the SMILES notation for 2,4,6-trimethylazepin-2-amine?
The canonical SMILES for 2,4,6-trimethylazepin-2-amine is CC1=CC(C)=CC(C)(N)N=C1.
What is the InChIKey of 2,4,6-trimethylazepin-2-amine?
The InChIKey is LUQOXMBZOJAVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-4-8(2)6-11-9(3,10)5-7/h4-6H,10H2,1-3H3.
What are the key properties of 2,4,6-trimethylazepin-2-amine?
2,4,6-trimethylazepin-2-amine has a molecular weight of 150.22 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylazepin-2-amine is sourced from PubChem (CID 142254157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).