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

C13H28N2O — CID 104554577

IUPAC2-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]propan-1-ol
SMILESCNC1C(CN(C)C(C)CO)CCC1(C)C
InChIInChI=1S/C13H28N2O/c1-10(9-16)15(5)8-11-6-7-13(2,3)12(11)14-4/h10-12,14,16H,6-9H2,1-5H3
InChIKeyQGJWJEBSUQISQY-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.32
Rot. Bonds5

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

2-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]propan-1-ol (PubChem CID 104554577) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]propan-1-ol
PubChem CID104554577
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]propan-1-ol
SMILESCNC1C(CN(C)C(C)CO)CCC1(C)C
InChIInChI=1S/C13H28N2O/c1-10(9-16)15(5)8-11-6-7-13(2,3)12(11)14-4/h10-12,14,16H,6-9H2,1-5H3
InChIKeyQGJWJEBSUQISQY-UHFFFAOYSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-1-ol
CID 104554576
N,2,2-trimethyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopentan-1-amine
CID 79855579
N,2,2-trimethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79853096
5-[[2-ethoxyethyl(methyl)amino]methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 81074491
2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-1-ol
CID 116523454
1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79856035
2-[cyclopropyl-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]amino]ethanol
CID 79855562
1-[1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]piperidin-4-yl]ethanol
CID 106837898
1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-ethylamino]-2-methylpropan-2-ol
CID 79855042
2-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl-methylamino]ethanol
CID 79853440
5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79865883
N,2,2-trimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine
CID 79856110

Frequently Asked Questions

What is the IUPAC name of 2-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]propan-1-ol?
The IUPAC name of 2-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]propan-1-ol (CID 104554577) is 2-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]propan-1-ol?
The canonical SMILES for 2-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]propan-1-ol is CNC1C(CN(C)C(C)CO)CCC1(C)C.
What is the InChIKey of 2-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]propan-1-ol?
The InChIKey is QGJWJEBSUQISQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(9-16)15(5)8-11-6-7-13(2,3)12(11)14-4/h10-12,14,16H,6-9H2,1-5H3.
What are the key properties of 2-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]propan-1-ol?
2-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]propan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]propan-1-ol is sourced from PubChem (CID 104554577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).