[2-[(4-methylpentylamino)methyl]cyclohexyl]methanol

C14H29NO — CID 83156139

IUPAC[2-[(4-methylpentylamino)methyl]cyclohexyl]methanol
SMILESCC(C)CCCNCC1CCCCC1CO
InChIInChI=1S/C14H29NO/c1-12(2)6-5-9-15-10-13-7-3-4-8-14(13)11-16/h12-16H,3-11H2,1-2H3
InChIKeyKLZMKUBJQIGMAR-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.81
Rot. Bonds7

About [2-[(4-methylpentylamino)methyl]cyclohexyl]methanol

[2-[(4-methylpentylamino)methyl]cyclohexyl]methanol (PubChem CID 83156139) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is [2-[(4-methylpentylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(4-methylpentylamino)methyl]cyclohexyl]methanol
PubChem CID83156139
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name[2-[(4-methylpentylamino)methyl]cyclohexyl]methanol
SMILESCC(C)CCCNCC1CCCCC1CO
InChIInChI=1S/C14H29NO/c1-12(2)6-5-9-15-10-13-7-3-4-8-14(13)11-16/h12-16H,3-11H2,1-2H3
InChIKeyKLZMKUBJQIGMAR-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.81
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 [2-[(4-methylpentylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [2-[(4-methylpentylamino)methyl]cyclohexyl]methanol (CID 83156139) is [2-[(4-methylpentylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[(4-methylpentylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[(4-methylpentylamino)methyl]cyclohexyl]methanol is CC(C)CCCNCC1CCCCC1CO.
What is the InChIKey of [2-[(4-methylpentylamino)methyl]cyclohexyl]methanol?
The InChIKey is KLZMKUBJQIGMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)6-5-9-15-10-13-7-3-4-8-14(13)11-16/h12-16H,3-11H2,1-2H3.
What are the key properties of [2-[(4-methylpentylamino)methyl]cyclohexyl]methanol?
[2-[(4-methylpentylamino)methyl]cyclohexyl]methanol has a molecular weight of 227.39 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylpentylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 83156139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).