[4-propyl-1-(thiophen-2-ylmethylamino)cyclohexyl]methanol

C15H25NOS — CID 61057016

IUPAC[4-propyl-1-(thiophen-2-ylmethylamino)cyclohexyl]methanol
SMILESCCCC1CCC(CO)(NCc2cccs2)CC1
InChIInChI=1S/C15H25NOS/c1-2-4-13-6-8-15(12-17,9-7-13)16-11-14-5-3-10-18-14/h3,5,10,13,16-17H,2,4,6-9,11-12H2,1H3
InChIKeyCVKNQVQSGXKGQQ-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.56
Rot. Bonds6

About [4-propyl-1-(thiophen-2-ylmethylamino)cyclohexyl]methanol

[4-propyl-1-(thiophen-2-ylmethylamino)cyclohexyl]methanol (PubChem CID 61057016) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is [4-propyl-1-(thiophen-2-ylmethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-propyl-1-(thiophen-2-ylmethylamino)cyclohexyl]methanol
PubChem CID61057016
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name[4-propyl-1-(thiophen-2-ylmethylamino)cyclohexyl]methanol
SMILESCCCC1CCC(CO)(NCc2cccs2)CC1
InChIInChI=1S/C15H25NOS/c1-2-4-13-6-8-15(12-17,9-7-13)16-11-14-5-3-10-18-14/h3,5,10,13,16-17H,2,4,6-9,11-12H2,1H3
InChIKeyCVKNQVQSGXKGQQ-UHFFFAOYSA-N
XLogP3.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(thiophen-2-ylmethylamino)cyclopentyl]methanol
CID 61054389
[1-(thiophen-2-ylmethylamino)cyclooctyl]methanol
CID 61056403
4-propyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 63774785
1-(aminomethyl)-4-phenyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 65379549
4-propyl-1-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 65086743
1-(aminomethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 65379764
4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891571
[7-methoxy-2-(thiophen-2-ylmethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
CID 115511086
[2-methylsulfonyl-1-(thiophen-2-ylmethylamino)cyclopentyl]methanol
CID 65049782
[1-(benzylamino)-3-ethylcyclopentyl]methanol
CID 64515749
[1-(3-chloroanilino)-4-propylcyclohexyl]methanol
CID 63428476
7,7-dimethyl-1-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol
CID 118200045

Frequently Asked Questions

What is the IUPAC name of [4-propyl-1-(thiophen-2-ylmethylamino)cyclohexyl]methanol?
The IUPAC name of [4-propyl-1-(thiophen-2-ylmethylamino)cyclohexyl]methanol (CID 61057016) is [4-propyl-1-(thiophen-2-ylmethylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-propyl-1-(thiophen-2-ylmethylamino)cyclohexyl]methanol?
The canonical SMILES for [4-propyl-1-(thiophen-2-ylmethylamino)cyclohexyl]methanol is CCCC1CCC(CO)(NCc2cccs2)CC1.
What is the InChIKey of [4-propyl-1-(thiophen-2-ylmethylamino)cyclohexyl]methanol?
The InChIKey is CVKNQVQSGXKGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-2-4-13-6-8-15(12-17,9-7-13)16-11-14-5-3-10-18-14/h3,5,10,13,16-17H,2,4,6-9,11-12H2,1H3.
What are the key properties of [4-propyl-1-(thiophen-2-ylmethylamino)cyclohexyl]methanol?
[4-propyl-1-(thiophen-2-ylmethylamino)cyclohexyl]methanol has a molecular weight of 267.44 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propyl-1-(thiophen-2-ylmethylamino)cyclohexyl]methanol is sourced from PubChem (CID 61057016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).