1-(4-ethylcyclohexyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine

C19H31NS — CID 104990968

IUPAC1-(4-ethylcyclohexyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
SMILESCCC1CCC(C(NC)c2cc3c(s2)CCCCC3)CC1
InChIInChI=1S/C19H31NS/c1-3-14-9-11-15(12-10-14)19(20-2)18-13-16-7-5-4-6-8-17(16)21-18/h13-15,19-20H,3-12H2,1-2H3
InChIKeyRHRSOKVKRBZKRW-UHFFFAOYSA-N
MW305.53 g/mol
LogP5.49
Rot. Bonds4

About 1-(4-ethylcyclohexyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine

1-(4-ethylcyclohexyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine (PubChem CID 104990968) has the molecular formula C19H31NS and a molecular weight of 305.53 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
PubChem CID104990968
Molecular FormulaC19H31NS
Molecular Weight305.53 g/mol
Exact Mass305.22
IUPAC Name1-(4-ethylcyclohexyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
SMILESCCC1CCC(C(NC)c2cc3c(s2)CCCCC3)CC1
InChIInChI=1S/C19H31NS/c1-3-14-9-11-15(12-10-14)19(20-2)18-13-16-7-5-4-6-8-17(16)21-18/h13-15,19-20H,3-12H2,1-2H3
InChIKeyRHRSOKVKRBZKRW-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.53
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethylcyclohexyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine 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

[(4-ethylcyclohexyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine
CID 105312997
1-cyclobutyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 105049312
2-cyclopropyl-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 104986496
1-(2-ethylcyclohexyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 115862831
N-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine
CID 115778778
N-[cyclohexyl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 114981660
N,2-dimethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine
CID 105017490
1-cycloheptyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 105027681
[cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105340045
2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 115847120
1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104991075
2-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 104986291

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine?
The IUPAC name of 1-(4-ethylcyclohexyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine (CID 104990968) is 1-(4-ethylcyclohexyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine is CCC1CCC(C(NC)c2cc3c(s2)CCCCC3)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine?
The InChIKey is RHRSOKVKRBZKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NS/c1-3-14-9-11-15(12-10-14)19(20-2)18-13-16-7-5-4-6-8-17(16)21-18/h13-15,19-20H,3-12H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine?
1-(4-ethylcyclohexyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine has a molecular weight of 305.53 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine is sourced from PubChem (CID 104990968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).