1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol

C16H33NO2 — CID 103921147

IUPAC1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol
SMILESCC(C)COC1CC(NCC(O)CC(C)C)C1(C)C
InChIInChI=1S/C16H33NO2/c1-11(2)7-13(18)9-17-14-8-15(16(14,5)6)19-10-12(3)4/h11-15,17-18H,7-10H2,1-6H3
InChIKeyDOMIDHDYBRBYEO-UHFFFAOYSA-N
MW271.44 g/mol
LogP2.82
Rot. Bonds8

About 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol

1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol (PubChem CID 103921147) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol
PubChem CID103921147
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol
SMILESCC(C)COC1CC(NCC(O)CC(C)C)C1(C)C
InChIInChI=1S/C16H33NO2/c1-11(2)7-13(18)9-17-14-8-15(16(14,5)6)19-10-12(3)4/h11-15,17-18H,7-10H2,1-6H3
InChIKeyDOMIDHDYBRBYEO-UHFFFAOYSA-N
XLogP2.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol with MolForge

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Related Compounds

1-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 64850582
2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine
CID 82710964
3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanamide
CID 64851177
(2R)-1-[(3-butoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol
CID 103922183
N-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852747
1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpentan-2-ol
CID 103921361
4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]oxan-4-ol
CID 81130600
2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol
CID 115642851
(2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid
CID 114283260
N-(5-methoxypentyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 103921156
N-(2-cyclopentyloxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64850404
N-(3-cyclopentylpropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 106008631

Frequently Asked Questions

What is the IUPAC name of 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol (CID 103921147) is 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol is CC(C)COC1CC(NCC(O)CC(C)C)C1(C)C.
What is the InChIKey of 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol?
The InChIKey is DOMIDHDYBRBYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-11(2)7-13(18)9-17-14-8-15(16(14,5)6)19-10-12(3)4/h11-15,17-18H,7-10H2,1-6H3.
What are the key properties of 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol?
1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol has a molecular weight of 271.44 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol is sourced from PubChem (CID 103921147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).