2-[3-(4-methoxybutan-2-ylamino)propyl]cyclopentan-1-ol

C13H27NO2 — CID 115894882

IUPAC2-[3-(4-methoxybutan-2-ylamino)propyl]cyclopentan-1-ol
SMILESCOCCC(C)NCCCC1CCCC1O
InChIInChI=1S/C13H27NO2/c1-11(8-10-16-2)14-9-4-6-12-5-3-7-13(12)15/h11-15H,3-10H2,1-2H3
InChIKeyWCEBHSMPGDRPGA-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds8

About 2-[3-(4-methoxybutan-2-ylamino)propyl]cyclopentan-1-ol

2-[3-(4-methoxybutan-2-ylamino)propyl]cyclopentan-1-ol (PubChem CID 115894882) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[3-(4-methoxybutan-2-ylamino)propyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[3-(4-methoxybutan-2-ylamino)propyl]cyclopentan-1-ol
PubChem CID115894882
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[3-(4-methoxybutan-2-ylamino)propyl]cyclopentan-1-ol
SMILESCOCCC(C)NCCCC1CCCC1O
InChIInChI=1S/C13H27NO2/c1-11(8-10-16-2)14-9-4-6-12-5-3-7-13(12)15/h11-15H,3-10H2,1-2H3
InChIKeyWCEBHSMPGDRPGA-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclopropylpropyl)-4-methoxybutan-2-amine
CID 115688384
2-[3-(3-methylbutan-2-ylamino)propyl]cyclopentan-1-ol
CID 115894901
2-[3-(2-methylpentan-3-ylamino)propyl]cyclopentan-1-ol
CID 115894897
2-(2-methoxyethyl)cyclohexan-1-ol
CID 14682106
2-butyl-N-(4-methoxybutan-2-yl)cyclopentan-1-amine
CID 115716518
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopentan-1-ol
CID 104564618
5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol
CID 103905392
6-(4-methoxybutan-2-ylamino)hexan-3-ol
CID 115891785
N-(4-methoxybutan-2-yl)pent-4-en-1-amine
CID 64603427
5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine
CID 107320059
2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide
CID 64913690
2-[[(5-amino-1-methoxypentan-2-yl)amino]methyl]cyclopentan-1-ol
CID 103390240

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxybutan-2-ylamino)propyl]cyclopentan-1-ol?
The IUPAC name of 2-[3-(4-methoxybutan-2-ylamino)propyl]cyclopentan-1-ol (CID 115894882) is 2-[3-(4-methoxybutan-2-ylamino)propyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[3-(4-methoxybutan-2-ylamino)propyl]cyclopentan-1-ol?
The canonical SMILES for 2-[3-(4-methoxybutan-2-ylamino)propyl]cyclopentan-1-ol is COCCC(C)NCCCC1CCCC1O.
What is the InChIKey of 2-[3-(4-methoxybutan-2-ylamino)propyl]cyclopentan-1-ol?
The InChIKey is WCEBHSMPGDRPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(8-10-16-2)14-9-4-6-12-5-3-7-13(12)15/h11-15H,3-10H2,1-2H3.
What are the key properties of 2-[3-(4-methoxybutan-2-ylamino)propyl]cyclopentan-1-ol?
2-[3-(4-methoxybutan-2-ylamino)propyl]cyclopentan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxybutan-2-ylamino)propyl]cyclopentan-1-ol is sourced from PubChem (CID 115894882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).