3-(1-cyclopentylpropan-2-ylamino)-2,2-dimethylpropan-1-ol

C13H27NO — CID 115894985

IUPAC3-(1-cyclopentylpropan-2-ylamino)-2,2-dimethylpropan-1-ol
SMILESCC(CC1CCCC1)NCC(C)(C)CO
InChIInChI=1S/C13H27NO/c1-11(8-12-6-4-5-7-12)14-9-13(2,3)10-15/h11-12,14-15H,4-10H2,1-3H3
InChIKeyOEVQSEQIQKIOGO-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds6

About 3-(1-cyclopentylpropan-2-ylamino)-2,2-dimethylpropan-1-ol

3-(1-cyclopentylpropan-2-ylamino)-2,2-dimethylpropan-1-ol (PubChem CID 115894985) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-(1-cyclopentylpropan-2-ylamino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(1-cyclopentylpropan-2-ylamino)-2,2-dimethylpropan-1-ol
PubChem CID115894985
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-(1-cyclopentylpropan-2-ylamino)-2,2-dimethylpropan-1-ol
SMILESCC(CC1CCCC1)NCC(C)(C)CO
InChIInChI=1S/C13H27NO/c1-11(8-12-6-4-5-7-12)14-9-13(2,3)10-15/h11-12,14-15H,4-10H2,1-3H3
InChIKeyOEVQSEQIQKIOGO-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-cyclopentylpropan-2-ylamino)methyl]-2-methylbutan-1-ol
CID 115895208
2-(1-cyclopentylpropan-2-ylamino)-2-methylpropan-1-ol
CID 115927491
N-cyclohexyl-2-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide
CID 113293835
3-(1-cyclopentylpropan-2-ylamino)-3-methylbutan-1-ol
CID 115920606
3-(2-cyclohexylethylamino)-2,2-dimethylpropan-1-ol
CID 81411941
3-(1-cyclopentylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol
CID 115755879
1-cyclopentyl-N-prop-2-ynylpropan-2-amine
CID 115755854
N-(1-cyclobutylpropan-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 115706302
3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol
CID 115894959
1-cyclopentyl-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 104584684
cyclohexylcyclohexane;2,2-dimethylpropane-1,3-diol
CID 67866109
2,2-dimethyl-3-[(3-propan-2-ylcyclohexyl)amino]propan-1-ol
CID 107448688

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylpropan-2-ylamino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(1-cyclopentylpropan-2-ylamino)-2,2-dimethylpropan-1-ol (CID 115894985) is 3-(1-cyclopentylpropan-2-ylamino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(1-cyclopentylpropan-2-ylamino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(1-cyclopentylpropan-2-ylamino)-2,2-dimethylpropan-1-ol is CC(CC1CCCC1)NCC(C)(C)CO.
What is the InChIKey of 3-(1-cyclopentylpropan-2-ylamino)-2,2-dimethylpropan-1-ol?
The InChIKey is OEVQSEQIQKIOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(8-12-6-4-5-7-12)14-9-13(2,3)10-15/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 3-(1-cyclopentylpropan-2-ylamino)-2,2-dimethylpropan-1-ol?
3-(1-cyclopentylpropan-2-ylamino)-2,2-dimethylpropan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylpropan-2-ylamino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115894985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).