2-[3-(3-methylbutan-2-ylamino)propyl]cyclopentan-1-ol

C13H27NO — CID 115894901

IUPAC2-[3-(3-methylbutan-2-ylamino)propyl]cyclopentan-1-ol
SMILESCC(C)C(C)NCCCC1CCCC1O
InChIInChI=1S/C13H27NO/c1-10(2)11(3)14-9-5-7-12-6-4-8-13(12)15/h10-15H,4-9H2,1-3H3
InChIKeyYFNZIWRDLTTYQM-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.56
Rot. Bonds6

About 2-[3-(3-methylbutan-2-ylamino)propyl]cyclopentan-1-ol

2-[3-(3-methylbutan-2-ylamino)propyl]cyclopentan-1-ol (PubChem CID 115894901) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-[3-(3-methylbutan-2-ylamino)propyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[3-(3-methylbutan-2-ylamino)propyl]cyclopentan-1-ol
PubChem CID115894901
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Name2-[3-(3-methylbutan-2-ylamino)propyl]cyclopentan-1-ol
SMILESCC(C)C(C)NCCCC1CCCC1O
InChIInChI=1S/C13H27NO/c1-10(2)11(3)14-9-5-7-12-6-4-8-13(12)15/h10-15H,4-9H2,1-3H3
InChIKeyYFNZIWRDLTTYQM-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 ≤ 500213.37
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

2-[3-(2-methylpentan-3-ylamino)propyl]cyclopentan-1-ol
CID 115894897
2-[3-(4-methoxybutan-2-ylamino)propyl]cyclopentan-1-ol
CID 115894882
2-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 13133892
(2S)-N-[3-[(1R,2S)-2-hydroxycyclopentyl]propyl]-2-phenylpropanamide
CID 99856024
trans-(1R,2S)-2-hexylcyclopentan-1-ol
CID 10797255
cis-(1S,2S)-2-hexylcyclopentan-1-ol
CID 10654739
N-[2-(2-hydroxycyclohexyl)ethyl]-2,3-dimethylbutanamide
CID 165488206
2-hydroxy-N-[3-(2-hydroxycyclohexyl)propyl]cyclopentane-1-carboxamide
CID 110016444
N-(2-cyclopentylethyl)-3-methylbutan-2-amine
CID 60920356
3-(2-ethylcyclohexyl)-N-propan-2-ylpropan-1-amine
CID 64502569
N-[2-(2-hydroxycyclohexyl)ethyl]-2-methylpropanamide
CID 165463094
trans-(1R,2R)-2-[3-[[(1S,2R)-2-methylsulfonylcyclohexyl]amino]propyl]cyclohexan-1-ol
CID 124726331

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylbutan-2-ylamino)propyl]cyclopentan-1-ol?
The IUPAC name of 2-[3-(3-methylbutan-2-ylamino)propyl]cyclopentan-1-ol (CID 115894901) is 2-[3-(3-methylbutan-2-ylamino)propyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[3-(3-methylbutan-2-ylamino)propyl]cyclopentan-1-ol?
The canonical SMILES for 2-[3-(3-methylbutan-2-ylamino)propyl]cyclopentan-1-ol is CC(C)C(C)NCCCC1CCCC1O.
What is the InChIKey of 2-[3-(3-methylbutan-2-ylamino)propyl]cyclopentan-1-ol?
The InChIKey is YFNZIWRDLTTYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)11(3)14-9-5-7-12-6-4-8-13(12)15/h10-15H,4-9H2,1-3H3.
What are the key properties of 2-[3-(3-methylbutan-2-ylamino)propyl]cyclopentan-1-ol?
2-[3-(3-methylbutan-2-ylamino)propyl]cyclopentan-1-ol has a molecular weight of 213.37 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 2-[3-(3-methylbutan-2-ylamino)propyl]cyclopentan-1-ol is sourced from PubChem (CID 115894901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).