[1-[(4-methylpentylamino)methyl]cyclopentyl]methanol

C13H27NO — CID 83155907

IUPAC[1-[(4-methylpentylamino)methyl]cyclopentyl]methanol
SMILESCC(C)CCCNCC1(CO)CCCC1
InChIInChI=1S/C13H27NO/c1-12(2)6-5-9-14-10-13(11-15)7-3-4-8-13/h12,14-15H,3-11H2,1-2H3
InChIKeyAYOGBTVIGPTUKV-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds7

About [1-[(4-methylpentylamino)methyl]cyclopentyl]methanol

[1-[(4-methylpentylamino)methyl]cyclopentyl]methanol (PubChem CID 83155907) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is [1-[(4-methylpentylamino)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(4-methylpentylamino)methyl]cyclopentyl]methanol
PubChem CID83155907
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name[1-[(4-methylpentylamino)methyl]cyclopentyl]methanol
SMILESCC(C)CCCNCC1(CO)CCCC1
InChIInChI=1S/C13H27NO/c1-12(2)6-5-9-14-10-13(11-15)7-3-4-8-13/h12,14-15H,3-11H2,1-2H3
InChIKeyAYOGBTVIGPTUKV-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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Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylpentylamino)methyl]cyclopentyl]methanol?
The IUPAC name of [1-[(4-methylpentylamino)methyl]cyclopentyl]methanol (CID 83155907) is [1-[(4-methylpentylamino)methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(4-methylpentylamino)methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(4-methylpentylamino)methyl]cyclopentyl]methanol is CC(C)CCCNCC1(CO)CCCC1.
What is the InChIKey of [1-[(4-methylpentylamino)methyl]cyclopentyl]methanol?
The InChIKey is AYOGBTVIGPTUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2)6-5-9-14-10-13(11-15)7-3-4-8-13/h12,14-15H,3-11H2,1-2H3.
What are the key properties of [1-[(4-methylpentylamino)methyl]cyclopentyl]methanol?
[1-[(4-methylpentylamino)methyl]cyclopentyl]methanol 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-[(4-methylpentylamino)methyl]cyclopentyl]methanol is sourced from PubChem (CID 83155907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).