1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine

C11H18N2 — CID 134406833

IUPAC1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine
SMILESCC1=CCC=C(CN(C)C)C(C)=N1
InChIInChI=1S/C11H18N2/c1-9-6-5-7-11(8-13(3)4)10(2)12-9/h6-7H,5,8H2,1-4H3
InChIKeyPWDMUKLYXHQYOM-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.24
Rot. Bonds2

About 1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine

1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine (PubChem CID 134406833) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine
PubChem CID134406833
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine
SMILESCC1=CCC=C(CN(C)C)C(C)=N1
InChIInChI=1S/C11H18N2/c1-9-6-5-7-11(8-13(3)4)10(2)12-9/h6-7H,5,8H2,1-4H3
InChIKeyPWDMUKLYXHQYOM-UHFFFAOYSA-N
XLogP2.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine 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

1-(1-ethenyl-3-methyl-4,5-dihydroazepin-2-yl)-N-methylethanimine
CID 91472922
(E)-N,N,3-trimethyl-4-[(2Z)-4-methylpenta-2,4-dien-2-yl]imino-2-[(Z)-prop-1-enyl]pent-2-en-1-amine
CID 126636351
2,7-Dimethyl-4,6,8,9-tetrahydropyrido[4,3-b]azepine
CID 134406498
(E)-N,N-dimethyl-3-(3-methyl-4H-azepin-7-yl)but-2-en-2-amine
CID 134476976
(5E,6E)-3,7-dimethyl-5,6-bis(prop-2-enylidene)-2H-1,4-diazepine
CID 134534686
3-[(5Z)-hepta-2,5-dien-2-yl]-1-methyl-2,7-dihydro-1,4-diazepine
CID 155471393
7-[(dimethylamino)methyl]-N,N-dimethyl-2H-azepin-4-amine
CID 163684541
(Z)-N,N-dimethyl-5-methyliminohept-3-en-3-amine
CID 167212068
N-methyl-1-[(8Z)-1-methyl-2,5,6,7-tetrahydroazonin-3-yl]ethanimine
CID 169610656
(3Z)-1-but-1-en-2-yl-3-ethylidene-N-methylpiperidin-4-imine
CID 172383320
(E)-N-but-1-en-2-yl-2-methyl-4-methylimino-N-propylpent-2-en-1-amine
CID 172384697
(E)-N,N-dimethyl-5-methyliminohex-3-en-3-amine
CID 143487946

Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine (CID 134406833) is 1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine is CC1=CCC=C(CN(C)C)C(C)=N1.
What is the InChIKey of 1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine?
The InChIKey is PWDMUKLYXHQYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-6-5-7-11(8-13(3)4)10(2)12-9/h6-7H,5,8H2,1-4H3.
What are the key properties of 1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine?
1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine has a molecular weight of 178.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 134406833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).