2-(3H-azepin-4-yl)-N,N-dimethylethanamine

C10H16N2 — CID 142206849

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

About 2-(3H-azepin-4-yl)-N,N-dimethylethanamine

2-(3H-azepin-4-yl)-N,N-dimethylethanamine (PubChem CID 142206849) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-(3H-azepin-4-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3H-azepin-4-yl)-N,N-dimethylethanamine
PubChem CID142206849
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-(3H-azepin-4-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1=CC=CN=CC1
InChIInChI=1S/C10H16N2/c1-12(2)9-6-10-4-3-7-11-8-5-10/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyOZFYNCYQMXEQFQ-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

N-[(1Z)-buta-1,3-dienyl]-2-methyl-3-(1-methylpiperidin-4-ylidene)propan-1-imine
CID 89366339
N-methyl-2-methylidene-N-[(Z)-2-(propylideneamino)prop-1-enyl]pent-3-en-1-amine
CID 123320059
4-ethyl-3H-azepine
CID 123802953
1-(3H-azepin-4-yl)-N,N-dimethylmethanamine
CID 142207317
N-[2-(3H-azepin-5-yl)ethyl]-N-methylbutan-1-amine
CID 142257717
2-(3H-azepin-2-yl)-N,N-dimethylethanamine
CID 143004768
N-[2-(3H-azepin-2-yl)ethyl]-N,2-dimethylpropan-2-amine
CID 143004823
(2E)-N,N-dimethyl-2-[3-(prop-1-en-2-yliminomethyl)buta-1,3-dien-2-yl]penta-2,4-dien-1-amine
CID 143030224
4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine
CID 143046625
N-[(3Z)-4-(ethylideneamino)buta-1,3-dien-2-yl]-N,6-dimethyl-3H-azepin-5-amine
CID 143271836
(3Z,5Z)-N,N,3-trimethyl-6-(methylideneamino)hexa-3,5-dien-1-amine
CID 156421173
2-(6-methylcyclohepta-1,3,6-trien-1-yl)prop-2-enyl-[(Z)-prop-1-enyl]-propylideneazanium
CID 166785131

Frequently Asked Questions

What is the IUPAC name of 2-(3H-azepin-4-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(3H-azepin-4-yl)-N,N-dimethylethanamine (CID 142206849) is 2-(3H-azepin-4-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3H-azepin-4-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3H-azepin-4-yl)-N,N-dimethylethanamine is CN(C)CCC1=CC=CN=CC1.
What is the InChIKey of 2-(3H-azepin-4-yl)-N,N-dimethylethanamine?
The InChIKey is OZFYNCYQMXEQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-12(2)9-6-10-4-3-7-11-8-5-10/h3-4,7-8H,5-6,9H2,1-2H3.
What are the key properties of 2-(3H-azepin-4-yl)-N,N-dimethylethanamine?
2-(3H-azepin-4-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-4-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 142206849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).