2-(3H-azepin-2-yl)-N,N-dimethylethanamine

C10H16N2 — CID 143004768

IUPAC2-(3H-azepin-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1=NC=CC=CC1
InChIInChI=1S/C10H16N2/c1-12(2)9-7-10-6-4-3-5-8-11-10/h3-5,8H,6-7,9H2,1-2H3
InChIKeyKOXLAVCLBSTDED-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.85
Rot. Bonds3

About 2-(3H-azepin-2-yl)-N,N-dimethylethanamine

2-(3H-azepin-2-yl)-N,N-dimethylethanamine (PubChem CID 143004768) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-(3H-azepin-2-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3H-azepin-2-yl)-N,N-dimethylethanamine
PubChem CID143004768
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-(3H-azepin-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1=NC=CC=CC1
InChIInChI=1S/C10H16N2/c1-12(2)9-7-10-6-4-3-5-8-11-10/h3-5,8H,6-7,9H2,1-2H3
InChIKeyKOXLAVCLBSTDED-UHFFFAOYSA-N
XLogP1.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(azepan-1-yl)-N-methylhexa-3,5-dien-2-imine
CID 123991348
(Z)-5-ethenylimino-N-ethyl-N-methyloct-6-en-1-amine
CID 134386167
N-(3-ethenyl-1-methyl-6-prop-1-en-2-yl-2,5-dihydroazepin-4-yl)-3-methylbutan-2-imine
CID 139316458
2-ethyl-3H-azepine
CID 141010193
2-(3H-azepin-4-yl)-N,N-dimethylethanamine
CID 142206849
N-[2-(3H-azepin-2-yl)ethyl]-N,2-dimethylpropan-2-amine
CID 143004823
ethane;(3E)-5-methyl-4-methylidene-1-[(Z)-prop-1-enyl]-3-prop-2-enylidene-2H-pyrrol-1-ium
CID 145695705
N-methyl-1-(1-methyl-2H-pyridin-2-yl)propan-1-imine
CID 146647272
ethane;2-methyl-3H-azepine
CID 162522127
(1E,4E)-N,N-dimethyl-5-(1-methyl-2,3,4,5,6,7-hexahydroazocin-1-ium-8-yl)penta-1,4-dien-1-amine
CID 170104841
2-(1-Piperidin-1-ylethyl)azocine
CID 67711384
1-[(4Z,6Z,9Z)-3,8-dihydroazecin-2-yl]-N,N-dimethylmethanamine
CID 142987087

Frequently Asked Questions

What is the IUPAC name of 2-(3H-azepin-2-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(3H-azepin-2-yl)-N,N-dimethylethanamine (CID 143004768) is 2-(3H-azepin-2-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3H-azepin-2-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3H-azepin-2-yl)-N,N-dimethylethanamine is CN(C)CCC1=NC=CC=CC1.
What is the InChIKey of 2-(3H-azepin-2-yl)-N,N-dimethylethanamine?
The InChIKey is KOXLAVCLBSTDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-12(2)9-7-10-6-4-3-5-8-11-10/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of 2-(3H-azepin-2-yl)-N,N-dimethylethanamine?
2-(3H-azepin-2-yl)-N,N-dimethylethanamine has a molecular weight of 164.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-azepin-2-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 143004768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).