1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]-2-methylpropan-2-ol

C14H30N2O — CID 79856035

IUPAC1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]-2-methylpropan-2-ol
SMILESCNC1C(CN(C)CC(C)(C)O)CCC1(C)C
InChIInChI=1S/C14H30N2O/c1-13(2)8-7-11(12(13)15-5)9-16(6)10-14(3,4)17/h11-12,15,17H,7-10H2,1-6H3
InChIKeyIRXJCBYXJDRPKD-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.71
Rot. Bonds5

About 1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]-2-methylpropan-2-ol

1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]-2-methylpropan-2-ol (PubChem CID 79856035) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]-2-methylpropan-2-ol
PubChem CID79856035
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]-2-methylpropan-2-ol
SMILESCNC1C(CN(C)CC(C)(C)O)CCC1(C)C
InChIInChI=1S/C14H30N2O/c1-13(2)8-7-11(12(13)15-5)9-16(6)10-14(3,4)17/h11-12,15,17H,7-10H2,1-6H3
InChIKeyIRXJCBYXJDRPKD-UHFFFAOYSA-N
XLogP1.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-ethylamino]-2-methylpropan-2-ol
CID 79855042
N,2,2-trimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine
CID 79856110
5-[[2-ethoxyethyl(methyl)amino]methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 81074491
2-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl-methylamino]ethanol
CID 79853440
2-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]propan-1-ol
CID 104554577
5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79865497
N,2,2-trimethyl-5-[[methyl(2-phenylethyl)amino]methyl]cyclopentan-1-amine
CID 79855039
2-[cyclopropyl-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]amino]ethanol
CID 79855562
N,2,2-trimethyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclopentan-1-amine
CID 79866875
5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79866037
5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79866448
1-N-(2,2-dimethylpropyl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine
CID 79859576

Frequently Asked Questions

What is the IUPAC name of 1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]-2-methylpropan-2-ol (CID 79856035) is 1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]-2-methylpropan-2-ol is CNC1C(CN(C)CC(C)(C)O)CCC1(C)C.
What is the InChIKey of 1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]-2-methylpropan-2-ol?
The InChIKey is IRXJCBYXJDRPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(2)8-7-11(12(13)15-5)9-16(6)10-14(3,4)17/h11-12,15,17H,7-10H2,1-6H3.
What are the key properties of 1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]-2-methylpropan-2-ol?
1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]-2-methylpropan-2-ol has a molecular weight of 242.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79856035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).