N-[(3-chloro-4-methylthiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine

C17H28ClNS — CID 103406324

IUPACN-[(3-chloro-4-methylthiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1scc(C)c1Cl)C1CCC(CC)CC1
InChIInChI=1S/C17H28ClNS/c1-4-10-19-16(17-15(18)12(3)11-20-17)14-8-6-13(5-2)7-9-14/h11,13-14,16,19H,4-10H2,1-3H3
InChIKeyJHXOXWOOXLICQU-UHFFFAOYSA-N
MW313.94 g/mol
LogP5.97
Rot. Bonds6

About N-[(3-chloro-4-methylthiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine

N-[(3-chloro-4-methylthiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine (PubChem CID 103406324) has the molecular formula C17H28ClNS and a molecular weight of 313.94 g/mol. Its IUPAC name is N-[(3-chloro-4-methylthiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylthiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
PubChem CID103406324
Molecular FormulaC17H28ClNS
Molecular Weight313.94 g/mol
Exact Mass313.16
IUPAC NameN-[(3-chloro-4-methylthiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1scc(C)c1Cl)C1CCC(CC)CC1
InChIInChI=1S/C17H28ClNS/c1-4-10-19-16(17-15(18)12(3)11-20-17)14-8-6-13(5-2)7-9-14/h11,13-14,16,19H,4-10H2,1-3H3
InChIKeyJHXOXWOOXLICQU-UHFFFAOYSA-N
XLogP5.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.94
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-chloro-4-methylthiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(4-ethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 105155197
1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 103406220
N-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 105155352
[(3-chloro-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methyl]hydrazine
CID 103408657
N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 64776035
1-(3-chloro-4-methylthiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 103406873
N-[(2,6-dimethyl-4-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 107504016
[(3-chloro-4-methylthiophen-2-yl)-cycloheptylmethyl]hydrazine
CID 103408753
N-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 79784078
N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine
CID 113319474
N-[1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethyl]propan-1-amine
CID 103406671
N-[(4,5-dibromothiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 104990742

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylthiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-4-methylthiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine (CID 103406324) is N-[(3-chloro-4-methylthiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-methylthiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-4-methylthiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine is CCCNC(c1scc(C)c1Cl)C1CCC(CC)CC1.
What is the InChIKey of N-[(3-chloro-4-methylthiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine?
The InChIKey is JHXOXWOOXLICQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNS/c1-4-10-19-16(17-15(18)12(3)11-20-17)14-8-6-13(5-2)7-9-14/h11,13-14,16,19H,4-10H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methylthiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine?
N-[(3-chloro-4-methylthiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine has a molecular weight of 313.94 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylthiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 103406324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).