1-cyclopentyl-3-(3-methylbutylamino)propan-2-ol

C13H27NO — CID 103157066

IUPAC1-cyclopentyl-3-(3-methylbutylamino)propan-2-ol
SMILESCC(C)CCNCC(O)CC1CCCC1
InChIInChI=1S/C13H27NO/c1-11(2)7-8-14-10-13(15)9-12-5-3-4-6-12/h11-15H,3-10H2,1-2H3
InChIKeyCNEAIIOZALZGKR-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds7

About 1-cyclopentyl-3-(3-methylbutylamino)propan-2-ol

1-cyclopentyl-3-(3-methylbutylamino)propan-2-ol (PubChem CID 103157066) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3-methylbutylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(3-methylbutylamino)propan-2-ol
PubChem CID103157066
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-cyclopentyl-3-(3-methylbutylamino)propan-2-ol
SMILESCC(C)CCNCC(O)CC1CCCC1
InChIInChI=1S/C13H27NO/c1-11(2)7-8-14-10-13(15)9-12-5-3-4-6-12/h11-15H,3-10H2,1-2H3
InChIKeyCNEAIIOZALZGKR-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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1-Azaspiro[4.4]nonan-3-ol hydrochloride
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1-Amino-3-cyclopentylpropan-2-ol hydrochloride
CID 165942898
N-2-ethyl-hexylethanolamine
CID 62774096
1-Amino-3-cyclopentylpropan-2-ol
CID 65985839
1-Azaspiro[4.4]nonan-3-ol
CID 84731151
5-(3-Ethyl-1-fluoroheptyl)piperidin-3-ol
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3-methylbutylamino)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(3-methylbutylamino)propan-2-ol (CID 103157066) is 1-cyclopentyl-3-(3-methylbutylamino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(3-methylbutylamino)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(3-methylbutylamino)propan-2-ol is CC(C)CCNCC(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(3-methylbutylamino)propan-2-ol?
The InChIKey is CNEAIIOZALZGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)7-8-14-10-13(15)9-12-5-3-4-6-12/h11-15H,3-10H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-(3-methylbutylamino)propan-2-ol?
1-cyclopentyl-3-(3-methylbutylamino)propan-2-ol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3-methylbutylamino)propan-2-ol is sourced from PubChem (CID 103157066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).