[1-(cyclopentylamino)-4-(2-methylbutan-2-yl)cyclohexyl]methanol

C17H33NO — CID 61054767

IUPAC[1-(cyclopentylamino)-4-(2-methylbutan-2-yl)cyclohexyl]methanol
SMILESCCC(C)(C)C1CCC(CO)(NC2CCCC2)CC1
InChIInChI=1S/C17H33NO/c1-4-16(2,3)14-9-11-17(13-19,12-10-14)18-15-7-5-6-8-15/h14-15,18-19H,4-13H2,1-3H3
InChIKeySPRFPGAPQSTENA-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.88
Rot. Bonds5

About [1-(cyclopentylamino)-4-(2-methylbutan-2-yl)cyclohexyl]methanol

[1-(cyclopentylamino)-4-(2-methylbutan-2-yl)cyclohexyl]methanol (PubChem CID 61054767) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is [1-(cyclopentylamino)-4-(2-methylbutan-2-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(cyclopentylamino)-4-(2-methylbutan-2-yl)cyclohexyl]methanol
PubChem CID61054767
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name[1-(cyclopentylamino)-4-(2-methylbutan-2-yl)cyclohexyl]methanol
SMILESCCC(C)(C)C1CCC(CO)(NC2CCCC2)CC1
InChIInChI=1S/C17H33NO/c1-4-16(2,3)14-9-11-17(13-19,12-10-14)18-15-7-5-6-8-15/h14-15,18-19H,4-13H2,1-3H3
InChIKeySPRFPGAPQSTENA-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(cyclopentylamino)cyclododecyl]methanol
CID 63428229
1-(cyclopropylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 43754485
[1-anilino-4-(2-methylbutan-2-yl)cyclohexyl]methanol
CID 63428039
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]cycloheptanamine
CID 65379738
[1-(cyclohexylamino)-3,4-dimethylcyclohexyl]methanol
CID 64745681
[4-methyl-1-[(4-methylcyclohexyl)amino]cyclohexyl]methanol
CID 62526376
1-(aminomethyl)-N-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114415888
[1-(cyclopentylamino)-3-propan-2-ylcyclohexyl]methanol
CID 107450338
1-(ethylaminomethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 62773323
N-[[8-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclohexanamine
CID 14326343
2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclohexan-1-amine
CID 79829280
1-(aminomethyl)-N-cyclopentyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 65386069

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-4-(2-methylbutan-2-yl)cyclohexyl]methanol?
The IUPAC name of [1-(cyclopentylamino)-4-(2-methylbutan-2-yl)cyclohexyl]methanol (CID 61054767) is [1-(cyclopentylamino)-4-(2-methylbutan-2-yl)cyclohexyl]methanol.
What is the SMILES notation for [1-(cyclopentylamino)-4-(2-methylbutan-2-yl)cyclohexyl]methanol?
The canonical SMILES for [1-(cyclopentylamino)-4-(2-methylbutan-2-yl)cyclohexyl]methanol is CCC(C)(C)C1CCC(CO)(NC2CCCC2)CC1.
What is the InChIKey of [1-(cyclopentylamino)-4-(2-methylbutan-2-yl)cyclohexyl]methanol?
The InChIKey is SPRFPGAPQSTENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-16(2,3)14-9-11-17(13-19,12-10-14)18-15-7-5-6-8-15/h14-15,18-19H,4-13H2,1-3H3.
What are the key properties of [1-(cyclopentylamino)-4-(2-methylbutan-2-yl)cyclohexyl]methanol?
[1-(cyclopentylamino)-4-(2-methylbutan-2-yl)cyclohexyl]methanol has a molecular weight of 267.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-4-(2-methylbutan-2-yl)cyclohexyl]methanol is sourced from PubChem (CID 61054767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).