1-[1-(aminomethyl)cyclobutyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C16H31NO — CID 79128825

IUPAC1-[1-(aminomethyl)cyclobutyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(C2(CN)CCC2)CC1
InChIInChI=1S/C16H31NO/c1-4-14(2,3)13-6-10-16(18,11-7-13)15(12-17)8-5-9-15/h13,18H,4-12,17H2,1-3H3
InChIKeyLKCGWHBPBKGIBW-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.47
Rot. Bonds4

About 1-[1-(aminomethyl)cyclobutyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

1-[1-(aminomethyl)cyclobutyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 79128825) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID79128825
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-[1-(aminomethyl)cyclobutyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(C2(CN)CCC2)CC1
InChIInChI=1S/C16H31NO/c1-4-14(2,3)13-6-10-16(18,11-7-13)15(12-17)8-5-9-15/h13,18H,4-12,17H2,1-3H3
InChIKeyLKCGWHBPBKGIBW-UHFFFAOYSA-N
XLogP3.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 79124767
1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol
CID 80603364
1-[1-(aminomethyl)-3-methylcyclohexyl]-4-tert-butylcycloheptan-1-ol
CID 79125209
1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol
CID 79124196
1-(1-aminopropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 79127529
1-(2-amino-1,1-difluoroethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165458047
1-(ethylaminomethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 62773323
1-[1-(aminomethyl)cycloheptyl]-4-ethylcycloheptan-1-ol
CID 79124222
1-[1-(aminomethyl)-3-methylcyclohexyl]-4-propylcyclohexan-1-ol
CID 79126743
3-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]oxypropan-1-ol
CID 103377317
1-[1-(aminomethyl)cycloheptyl]cyclohexan-1-ol
CID 79128633
4-[1-(aminomethyl)-4-tert-butylcyclohexyl]-1-methylazepan-4-ol
CID 79124808

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 79128825) is 1-[1-(aminomethyl)cyclobutyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)(C2(CN)CCC2)CC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is LKCGWHBPBKGIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-14(2,3)13-6-10-16(18,11-7-13)15(12-17)8-5-9-15/h13,18H,4-12,17H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
1-[1-(aminomethyl)cyclobutyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 79128825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).