[1-(butylaminomethyl)cyclohexyl]methanol

C12H25NO — CID 81411792

IUPAC[1-(butylaminomethyl)cyclohexyl]methanol
SMILESCCCCNCC1(CO)CCCCC1
InChIInChI=1S/C12H25NO/c1-2-3-9-13-10-12(11-14)7-5-4-6-8-12/h13-14H,2-11H2,1H3
InChIKeySOEPJJPSTFAXEF-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds6

About [1-(butylaminomethyl)cyclohexyl]methanol

[1-(butylaminomethyl)cyclohexyl]methanol (PubChem CID 81411792) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is [1-(butylaminomethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(butylaminomethyl)cyclohexyl]methanol
PubChem CID81411792
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name[1-(butylaminomethyl)cyclohexyl]methanol
SMILESCCCCNCC1(CO)CCCCC1
InChIInChI=1S/C12H25NO/c1-2-3-9-13-10-12(11-14)7-5-4-6-8-12/h13-14H,2-11H2,1H3
InChIKeySOEPJJPSTFAXEF-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
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-(butylaminomethyl)cyclohexyl]methanol?
The IUPAC name of [1-(butylaminomethyl)cyclohexyl]methanol (CID 81411792) is [1-(butylaminomethyl)cyclohexyl]methanol.
What is the SMILES notation for [1-(butylaminomethyl)cyclohexyl]methanol?
The canonical SMILES for [1-(butylaminomethyl)cyclohexyl]methanol is CCCCNCC1(CO)CCCCC1.
What is the InChIKey of [1-(butylaminomethyl)cyclohexyl]methanol?
The InChIKey is SOEPJJPSTFAXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-3-9-13-10-12(11-14)7-5-4-6-8-12/h13-14H,2-11H2,1H3.
What are the key properties of [1-(butylaminomethyl)cyclohexyl]methanol?
[1-(butylaminomethyl)cyclohexyl]methanol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(butylaminomethyl)cyclohexyl]methanol is sourced from PubChem (CID 81411792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).