N-(dithiophen-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine

C17H23NS2 — CID 64733837

IUPACN-(dithiophen-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NC(c2cccs2)c2cccs2)C1
InChIInChI=1S/C17H23NS2/c1-12-9-13(2)11-14(10-12)18-17(15-5-3-7-19-15)16-6-4-8-20-16/h3-8,12-14,17-18H,9-11H2,1-2H3
InChIKeyRKWPKLZDSADOLY-UHFFFAOYSA-N
MW305.51 g/mol
LogP5.31
Rot. Bonds4

About N-(dithiophen-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine

N-(dithiophen-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine (PubChem CID 64733837) has the molecular formula C17H23NS2 and a molecular weight of 305.51 g/mol. Its IUPAC name is N-(dithiophen-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(dithiophen-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
PubChem CID64733837
Molecular FormulaC17H23NS2
Molecular Weight305.51 g/mol
Exact Mass305.13
IUPAC NameN-(dithiophen-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NC(c2cccs2)c2cccs2)C1
InChIInChI=1S/C17H23NS2/c1-12-9-13(2)11-14(10-12)18-17(15-5-3-7-19-15)16-6-4-8-20-16/h3-8,12-14,17-18H,9-11H2,1-2H3
InChIKeyRKWPKLZDSADOLY-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclobutan-1-amine
CID 104859620
N-(dithiophen-2-ylmethyl)cyclopentanamine
CID 43756506
3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine
CID 43224426
N-(dithiophen-2-ylmethyl)thian-4-amine
CID 115641775
4-(dithiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43761720
3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]cyclohexan-1-amine
CID 43775441
2,5-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine
CID 64763028
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2,4-dimethylcyclohexan-1-amine
CID 63996037
8-methyl-N-[(1R)-1-thiophen-2-ylethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 81398172
3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 55194083
1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine
CID 43224396
4-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 43193909

Frequently Asked Questions

What is the IUPAC name of N-(dithiophen-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-(dithiophen-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine (CID 64733837) is N-(dithiophen-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(dithiophen-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(dithiophen-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine is CC1CC(C)CC(NC(c2cccs2)c2cccs2)C1.
What is the InChIKey of N-(dithiophen-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine?
The InChIKey is RKWPKLZDSADOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS2/c1-12-9-13(2)11-14(10-12)18-17(15-5-3-7-19-15)16-6-4-8-20-16/h3-8,12-14,17-18H,9-11H2,1-2H3.
What are the key properties of N-(dithiophen-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine?
N-(dithiophen-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine has a molecular weight of 305.51 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dithiophen-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64733837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).