N-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine;ethane

C20H38N2 — CID 144734935

IUPACN-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine;ethane
SMILESCC.CC.CC1CCC(N(C)C(C)C2=CN=CCC=C2)CC1
InChIInChI=1S/C16H26N2.2C2H6/c1-13-7-9-16(10-8-13)18(3)14(2)15-6-4-5-11-17-12-15;2*1-2/h4,6,11-14,16H,5,7-10H2,1-3H3;2*1-2H3
InChIKeyPZEOWXOXJJBKLG-UHFFFAOYSA-N
MW306.54 g/mol
LogP5.85
Rot. Bonds3

About N-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine;ethane

N-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine;ethane (PubChem CID 144734935) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is N-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine;ethane.

Molecular Properties

Compound NameN-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine;ethane
PubChem CID144734935
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC NameN-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine;ethane
SMILESCC.CC.CC1CCC(N(C)C(C)C2=CN=CCC=C2)CC1
InChIInChI=1S/C16H26N2.2C2H6/c1-13-7-9-16(10-8-13)18(3)14(2)15-6-4-5-11-17-12-15;2*1-2/h4,6,11-14,16H,5,7-10H2,1-3H3;2*1-2H3
InChIKeyPZEOWXOXJJBKLG-UHFFFAOYSA-N
XLogP5.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine
CID 123309080
N-(3H-azepin-6-ylmethyl)-N,4-dimethylcyclohexan-1-amine
CID 123879642
7-(3,4-Dihydropyridin-5-yl)-2-ethyl-3,3a,4,8a-tetrahydrocyclohepta[b]pyrrole
CID 123908900
N,4-dimethyl-N-[(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enyl]cyclohexan-1-amine
CID 130459530
N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 130459822
N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine
CID 130459844
N-ethyl-6-[6-[(E)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-2,4-dien-1-yl]-3-methyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]heptan-1-amine
CID 135228935
ethane;methane;(7E)-7-[(3Z,5Z)-1-(4-methylpiperidin-1-yl)octa-3,5-dienyl]-3,6-dihydroazocine
CID 143637234
N-[1-(3,4-dimethyl-3,4-dihydro-2H-pyrrol-2-yl)propa-1,2-dienyl]-4-ethyl-N-[3-(2,3,4,8-tetrahydro-1H-benzo[7]annulen-6-yl)butyl]cyclohexan-1-amine
CID 143683841
N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane
CID 143699563
ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine
CID 144654677
ethane;N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 144654679

Frequently Asked Questions

What is the IUPAC name of N-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine;ethane?
The IUPAC name of N-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine;ethane (CID 144734935) is N-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine;ethane.
What is the SMILES notation for N-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine;ethane?
The canonical SMILES for N-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine;ethane is CC.CC.CC1CCC(N(C)C(C)C2=CN=CCC=C2)CC1.
What is the InChIKey of N-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine;ethane?
The InChIKey is PZEOWXOXJJBKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2.2C2H6/c1-13-7-9-16(10-8-13)18(3)14(2)15-6-4-5-11-17-12-15;2*1-2/h4,6,11-14,16H,5,7-10H2,1-3H3;2*1-2H3.
What are the key properties of N-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine;ethane?
N-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine;ethane has a molecular weight of 306.54 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine;ethane is sourced from PubChem (CID 144734935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).