3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol

C17H33NO — CID 114629253

IUPAC3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC(C)(C)C1CCCC(NC2CC(O)C2(C)C)CC1
InChIInChI=1S/C17H33NO/c1-16(2,3)12-7-6-8-13(10-9-12)18-14-11-15(19)17(14,4)5/h12-15,18-19H,6-11H2,1-5H3
InChIKeyFUEWETAAVVDZPK-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.73
Rot. Bonds2

About 3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol

3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114629253) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114629253
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC(C)(C)C1CCCC(NC2CC(O)C2(C)C)CC1
InChIInChI=1S/C17H33NO/c1-16(2,3)12-7-6-8-13(10-9-12)18-14-11-15(19)17(14,4)5/h12-15,18-19H,6-11H2,1-5H3
InChIKeyFUEWETAAVVDZPK-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-[(propan-2-ylamino)methyl]cycloheptan-1-ol
CID 59744976
butan-1-ol;2-butan-2-yl-N-methylcycloheptan-1-amine
CID 71071108
1-[1-(2-Methylcycloheptyl)butylamino]butan-1-ol
CID 71071377
butan-1-ol;N-butyl-2-methylcycloheptan-1-amine
CID 71071380
3,3-dimethylheptane;3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine;ethane;5-methylheptan-2-ol
CID 143524592
1-Cyclobutyl-3-methyl-2-[(propan-2-ylamino)methyl]butan-1-ol;ethane;hydrate
CID 143717743
4-(2-Hydroxyethylamino)-2,2,3,3,6,6,8,8-octamethylnonan-5-ol
CID 144389375
2-[(3-Ethylundecan-4-ylamino)methyl]cycloheptan-1-ol
CID 150860248
4-Ethyl-1-(3-ethylundecan-4-ylamino)hexan-3-ol
CID 151463311
(3S,5R)-5-methyl-5-propan-2-yl-8-(propan-2-ylamino)octan-3-ol
CID 153160208
2-[(2-Tert-butyl-4,4-dimethylpentyl)amino]-1-cycloheptylethanol
CID 156190903
(3R)-5-[[(4R,5R)-4,5-dimethylheptan-3-yl]amino]-2-methylheptan-3-ol
CID 164115298

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol (CID 114629253) is 3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol is CC(C)(C)C1CCCC(NC2CC(O)C2(C)C)CC1.
What is the InChIKey of 3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is FUEWETAAVVDZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-16(2,3)12-7-6-8-13(10-9-12)18-14-11-15(19)17(14,4)5/h12-15,18-19H,6-11H2,1-5H3.
What are the key properties of 3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol?
3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114629253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).