1-[(3-methylbutylamino)methyl]cyclohexan-1-ol

C12H25NO — CID 60896954

IUPAC1-[(3-methylbutylamino)methyl]cyclohexan-1-ol
SMILESCC(C)CCNCC1(O)CCCCC1
InChIInChI=1S/C12H25NO/c1-11(2)6-9-13-10-12(14)7-4-3-5-8-12/h11,13-14H,3-10H2,1-2H3
InChIKeyYRTSLDFCSUCZNI-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds5

About 1-[(3-methylbutylamino)methyl]cyclohexan-1-ol

1-[(3-methylbutylamino)methyl]cyclohexan-1-ol (PubChem CID 60896954) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-[(3-methylbutylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-methylbutylamino)methyl]cyclohexan-1-ol
PubChem CID60896954
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-[(3-methylbutylamino)methyl]cyclohexan-1-ol
SMILESCC(C)CCNCC1(O)CCCCC1
InChIInChI=1S/C12H25NO/c1-11(2)6-9-13-10-12(14)7-4-3-5-8-12/h11,13-14H,3-10H2,1-2H3
InChIKeyYRTSLDFCSUCZNI-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-[(3-methylbutylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(3-methylbutylamino)methyl]cyclohexan-1-ol (CID 60896954) is 1-[(3-methylbutylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(3-methylbutylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(3-methylbutylamino)methyl]cyclohexan-1-ol is CC(C)CCNCC1(O)CCCCC1.
What is the InChIKey of 1-[(3-methylbutylamino)methyl]cyclohexan-1-ol?
The InChIKey is YRTSLDFCSUCZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2)6-9-13-10-12(14)7-4-3-5-8-12/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 1-[(3-methylbutylamino)methyl]cyclohexan-1-ol?
1-[(3-methylbutylamino)methyl]cyclohexan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylbutylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 60896954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).