1-cyclopentyl-2-[2,2-dimethylpropyl(methyl)amino]ethanol

C13H27NO — CID 104752733

IUPAC1-cyclopentyl-2-[2,2-dimethylpropyl(methyl)amino]ethanol
SMILESCN(CC(O)C1CCCC1)CC(C)(C)C
InChIInChI=1S/C13H27NO/c1-13(2,3)10-14(4)9-12(15)11-7-5-6-8-11/h11-12,15H,5-10H2,1-4H3
InChIKeyZHLPNMHNZRABPQ-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.52
Rot. Bonds4

About 1-cyclopentyl-2-[2,2-dimethylpropyl(methyl)amino]ethanol

1-cyclopentyl-2-[2,2-dimethylpropyl(methyl)amino]ethanol (PubChem CID 104752733) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2,2-dimethylpropyl(methyl)amino]ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-[2,2-dimethylpropyl(methyl)amino]ethanol
PubChem CID104752733
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-cyclopentyl-2-[2,2-dimethylpropyl(methyl)amino]ethanol
SMILESCN(CC(O)C1CCCC1)CC(C)(C)C
InChIInChI=1S/C13H27NO/c1-13(2,3)10-14(4)9-12(15)11-7-5-6-8-11/h11-12,15H,5-10H2,1-4H3
InChIKeyZHLPNMHNZRABPQ-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 103935088
2-[cyclohexylmethyl(methyl)amino]-1-cyclopropylethanol
CID 63906781
3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol
CID 58066210
1-cyclopentyl-2-[methyl(oxan-4-ylmethyl)amino]ethanol
CID 104752909
1-cyclopropyl-2-[methyl(2-methylpropyl)amino]ethanol
CID 63906984
1-cyclohexyl-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 104752723
2-amino-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
CID 64828182
1-cyclopentyl-3-[ethyl(methyl)amino]propan-1-ol
CID 45098609
3-cyclohexyl-1-cyclopentylbutane-1,3-diol
CID 57289443
1-[2,2-dimethylpropyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
CID 62922207
1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 104752674
(1R)-1-cyclopentylpropan-1-ol;sulfane
CID 161153256

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2,2-dimethylpropyl(methyl)amino]ethanol?
The IUPAC name of 1-cyclopentyl-2-[2,2-dimethylpropyl(methyl)amino]ethanol (CID 104752733) is 1-cyclopentyl-2-[2,2-dimethylpropyl(methyl)amino]ethanol.
What is the SMILES notation for 1-cyclopentyl-2-[2,2-dimethylpropyl(methyl)amino]ethanol?
The canonical SMILES for 1-cyclopentyl-2-[2,2-dimethylpropyl(methyl)amino]ethanol is CN(CC(O)C1CCCC1)CC(C)(C)C.
What is the InChIKey of 1-cyclopentyl-2-[2,2-dimethylpropyl(methyl)amino]ethanol?
The InChIKey is ZHLPNMHNZRABPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-13(2,3)10-14(4)9-12(15)11-7-5-6-8-11/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 1-cyclopentyl-2-[2,2-dimethylpropyl(methyl)amino]ethanol?
1-cyclopentyl-2-[2,2-dimethylpropyl(methyl)amino]ethanol has a molecular weight of 213.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2,2-dimethylpropyl(methyl)amino]ethanol is sourced from PubChem (CID 104752733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).