2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-ol

C14H29NO — CID 79855584

IUPAC2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-ol
SMILESCCC(C)CN(C)CC1CCC(C)(C)C1O
InChIInChI=1S/C14H29NO/c1-6-11(2)9-15(5)10-12-7-8-14(3,4)13(12)16/h11-13,16H,6-10H2,1-5H3
InChIKeyYSHQOUPRUISQJD-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.76
Rot. Bonds5

About 2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-ol

2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-ol (PubChem CID 79855584) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-ol
PubChem CID79855584
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-ol
SMILESCCC(C)CN(C)CC1CCC(C)(C)C1O
InChIInChI=1S/C14H29NO/c1-6-11(2)9-15(5)10-12-7-8-14(3,4)13(12)16/h11-13,16H,6-10H2,1-5H3
InChIKeyYSHQOUPRUISQJD-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-5-[[methyl(2-methylpropyl)amino]methyl]cyclopentan-1-ol
CID 79855430
5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79856126
N-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine
CID 79865601
5-[[cyclopropylmethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855050
6-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79848357
N-ethyl-2,2-dimethyl-6-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-amine
CID 79853433
2,2-dimethyl-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclopentan-1-ol
CID 79855131
6-[ethyl(2-methylbutyl)amino]-2,2-dimethylcyclohexan-1-ol
CID 79847016
5-[[cyclopropyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855583
1-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-2-ol
CID 79855488
5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855744
5-[(N,4-dimethylanilino)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855052

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-ol (CID 79855584) is 2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-ol is CCC(C)CN(C)CC1CCC(C)(C)C1O.
What is the InChIKey of 2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is YSHQOUPRUISQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-11(2)9-15(5)10-12-7-8-14(3,4)13(12)16/h11-13,16H,6-10H2,1-5H3.
What are the key properties of 2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-ol?
2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 79855584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).