3-(1-cyclopentylethylamino)-4-methylpentan-1-ol

C13H27NO — CID 115724580

IUPAC3-(1-cyclopentylethylamino)-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NC(C)C1CCCC1
InChIInChI=1S/C13H27NO/c1-10(2)13(8-9-15)14-11(3)12-6-4-5-7-12/h10-15H,4-9H2,1-3H3
InChIKeyKKMPHSJXSJDAGT-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds6

About 3-(1-cyclopentylethylamino)-4-methylpentan-1-ol

3-(1-cyclopentylethylamino)-4-methylpentan-1-ol (PubChem CID 115724580) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-(1-cyclopentylethylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-(1-cyclopentylethylamino)-4-methylpentan-1-ol
PubChem CID115724580
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-(1-cyclopentylethylamino)-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NC(C)C1CCCC1
InChIInChI=1S/C13H27NO/c1-10(2)13(8-9-15)14-11(3)12-6-4-5-7-12/h10-15H,4-9H2,1-3H3
InChIKeyKKMPHSJXSJDAGT-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

3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol
CID 113438636
3-(1-cyclobutylpropan-2-ylamino)-4-methylpentan-1-ol
CID 115724552
(4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol
CID 97051641
(2R)-2-(1-cyclopentylethylamino)propan-1-ol
CID 114987079
(3R)-3-(1-cyclopropylethylamino)butan-1-ol
CID 103871785
3-cyclopropyl-3-(1-cyclopropylethylamino)propan-1-ol
CID 115677287
3-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol
CID 104925922
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
N-(1-cyclopentylethyl)propan-2-amine
CID 59833137
N-cyclohexyl-2-[(1-hydroxy-4-methylpentan-3-yl)amino]acetamide
CID 104892038
(2R)-2-(1-cyclopentylethylamino)butan-1-ol
CID 103922643
3-cyclohexyl-4-methylpentan-1-ol
CID 121406245

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylethylamino)-4-methylpentan-1-ol?
The IUPAC name of 3-(1-cyclopentylethylamino)-4-methylpentan-1-ol (CID 115724580) is 3-(1-cyclopentylethylamino)-4-methylpentan-1-ol.
What is the SMILES notation for 3-(1-cyclopentylethylamino)-4-methylpentan-1-ol?
The canonical SMILES for 3-(1-cyclopentylethylamino)-4-methylpentan-1-ol is CC(C)C(CCO)NC(C)C1CCCC1.
What is the InChIKey of 3-(1-cyclopentylethylamino)-4-methylpentan-1-ol?
The InChIKey is KKMPHSJXSJDAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)13(8-9-15)14-11(3)12-6-4-5-7-12/h10-15H,4-9H2,1-3H3.
What are the key properties of 3-(1-cyclopentylethylamino)-4-methylpentan-1-ol?
3-(1-cyclopentylethylamino)-4-methylpentan-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-cyclopentylethylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 115724580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).