3-[(3,3-dimethylcyclobutyl)-methylamino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C18H35NO — CID 165497502

IUPAC3-[(3,3-dimethylcyclobutyl)-methylamino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)CC1N(C)C1CC(C)(C)C1
InChIInChI=1S/C18H35NO/c1-7-18(4,5)15-9-8-14(20)10-16(15)19(6)13-11-17(2,3)12-13/h13-16,20H,7-12H2,1-6H3
InChIKeyXNZHYNFKZXJIKW-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.07
Rot. Bonds4

About 3-[(3,3-dimethylcyclobutyl)-methylamino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

3-[(3,3-dimethylcyclobutyl)-methylamino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 165497502) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 3-[(3,3-dimethylcyclobutyl)-methylamino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(3,3-dimethylcyclobutyl)-methylamino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID165497502
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name3-[(3,3-dimethylcyclobutyl)-methylamino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)CC1N(C)C1CC(C)(C)C1
InChIInChI=1S/C18H35NO/c1-7-18(4,5)15-9-8-14(20)10-16(15)19(6)13-11-17(2,3)12-13/h13-16,20H,7-12H2,1-6H3
InChIKeyXNZHYNFKZXJIKW-UHFFFAOYSA-N
XLogP4.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165491462
3-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165497487
3-[cyclopropyl(propyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165498480
tert-butyl N-[2-[(3,3-dimethylcyclobutyl)-methylamino]-4-hydroxycyclohexyl]carbamate
CID 165498413
4-tert-butyl-3-(diethylamino)cyclohexan-1-ol
CID 165491972
3-[2-methoxyethyl(propan-2-yl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165498395
4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol
CID 165498702
4-tert-butyl-3-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol
CID 165498706
4-tert-butyl-3-[cyclobutylmethyl(methyl)amino]cyclohexan-1-ol
CID 165498697
4-tert-butyl-3-[2,2-difluoropropyl(methyl)amino]cyclohexan-1-ol
CID 165491996
4-tert-butyl-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 165498179
4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
CID 165498695

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylcyclobutyl)-methylamino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 3-[(3,3-dimethylcyclobutyl)-methylamino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 165497502) is 3-[(3,3-dimethylcyclobutyl)-methylamino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-[(3,3-dimethylcyclobutyl)-methylamino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 3-[(3,3-dimethylcyclobutyl)-methylamino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)CC1N(C)C1CC(C)(C)C1.
What is the InChIKey of 3-[(3,3-dimethylcyclobutyl)-methylamino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is XNZHYNFKZXJIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-7-18(4,5)15-9-8-14(20)10-16(15)19(6)13-11-17(2,3)12-13/h13-16,20H,7-12H2,1-6H3.
What are the key properties of 3-[(3,3-dimethylcyclobutyl)-methylamino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
3-[(3,3-dimethylcyclobutyl)-methylamino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 281.48 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylcyclobutyl)-methylamino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 165497502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).