3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine

C15H25NS — CID 64744444

IUPAC3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
SMILESCCC(NC1CCC(C)C(C)C1)c1cccs1
InChIInChI=1S/C15H25NS/c1-4-14(15-6-5-9-17-15)16-13-8-7-11(2)12(3)10-13/h5-6,9,11-14,16H,4,7-8,10H2,1-3H3
InChIKeyWUNYDVSBBIYAII-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.61
Rot. Bonds4

About 3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine

3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine (PubChem CID 64744444) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
PubChem CID64744444
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
SMILESCCC(NC1CCC(C)C(C)C1)c1cccs1
InChIInChI=1S/C15H25NS/c1-4-14(15-6-5-9-17-15)16-13-8-7-11(2)12(3)10-13/h5-6,9,11-14,16H,4,7-8,10H2,1-3H3
InChIKeyWUNYDVSBBIYAII-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 63995673
tert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate
CID 103719850
1-cyclopropyl-5-methyl-N-(1-thiophen-2-ylpropyl)pyrrolidin-3-amine
CID 115713136
1-methyl-N-(1-thiophen-2-ylpropyl)pyrrolidin-3-amine
CID 61462269
N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
CID 114817555
N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55153023
3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 55194083
tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate
CID 63303145
2,4,4-trimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 81321669
1-prop-2-ynyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine
CID 54964413
N-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 79895449
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine (CID 64744444) is 3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine is CCC(NC1CCC(C)C(C)C1)c1cccs1.
What is the InChIKey of 3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine?
The InChIKey is WUNYDVSBBIYAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-14(15-6-5-9-17-15)16-13-8-7-11(2)12(3)10-13/h5-6,9,11-14,16H,4,7-8,10H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine?
3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 64744444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).