N,N-dimethyl-3H-azepin-2-amine

C8H12N2 — CID 15331813

IUPACN,N-dimethyl-3H-azepin-2-amine
SMILESCN(C)C1=NC=CC=CC1
InChIInChI=1S/C8H12N2/c1-10(2)8-6-4-3-5-7-9-8/h3-5,7H,6H2,1-2H3
InChIKeySVGRZAVGYHYCTK-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.42
Rot. Bonds

About N,N-dimethyl-3H-azepin-2-amine

N,N-dimethyl-3H-azepin-2-amine (PubChem CID 15331813) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N,N-dimethyl-3H-azepin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3H-azepin-2-amine
PubChem CID15331813
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN,N-dimethyl-3H-azepin-2-amine
SMILESCN(C)C1=NC=CC=CC1
InChIInChI=1S/C8H12N2/c1-10(2)8-6-4-3-5-7-9-8/h3-5,7H,6H2,1-2H3
InChIKeySVGRZAVGYHYCTK-UHFFFAOYSA-N
XLogP1.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-5-fluoro-3H-azepin-2-amine
CID 13580905
N,N-diethyl-5-(trifluoromethyl)-3H-azepin-2-amine
CID 172418752
3H-Azepin-2-amine, N,N-diethyl-
CID 12218543
N,N-Dibutyl-3H-azepin-2-amine
CID 20311261
N-butyl-1,3-dihydroazepin-2-imine
CID 137197350
N,N-diethyl-4-methyl-3H-azepin-2-amine
CID 12218528
N,N-diethyl-6-methyl-3H-azepin-2-amine
CID 12218529
4-chloro-N,N-diethyl-3H-azepin-2-amine
CID 12218532
6-chloro-N,N-diethyl-3H-azepin-2-amine
CID 12218533
N,N-diethyl-5-methyl-3H-azepin-2-amine
CID 12218538
2-(Diethylamino)-5-chloro-3h-azepine
CID 12218539
5-bromo-N,N-diethyl-3H-azepin-2-amine
CID 12218540

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3H-azepin-2-amine?
The IUPAC name of N,N-dimethyl-3H-azepin-2-amine (CID 15331813) is N,N-dimethyl-3H-azepin-2-amine.
What is the SMILES notation for N,N-dimethyl-3H-azepin-2-amine?
The canonical SMILES for N,N-dimethyl-3H-azepin-2-amine is CN(C)C1=NC=CC=CC1.
What is the InChIKey of N,N-dimethyl-3H-azepin-2-amine?
The InChIKey is SVGRZAVGYHYCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-10(2)8-6-4-3-5-7-9-8/h3-5,7H,6H2,1-2H3.
What are the key properties of N,N-dimethyl-3H-azepin-2-amine?
N,N-dimethyl-3H-azepin-2-amine has a molecular weight of 136.20 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3H-azepin-2-amine is sourced from PubChem (CID 15331813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).