[1-[(hexylamino)methyl]cyclohexyl]methanol

C14H29NO — CID 81412220

IUPAC[1-[(hexylamino)methyl]cyclohexyl]methanol
SMILESCCCCCCNCC1(CO)CCCCC1
InChIInChI=1S/C14H29NO/c1-2-3-4-8-11-15-12-14(13-16)9-6-5-7-10-14/h15-16H,2-13H2,1H3
InChIKeyCDEYJIRVIWVVEV-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.10
Rot. Bonds8

About [1-[(hexylamino)methyl]cyclohexyl]methanol

[1-[(hexylamino)methyl]cyclohexyl]methanol (PubChem CID 81412220) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is [1-[(hexylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(hexylamino)methyl]cyclohexyl]methanol
PubChem CID81412220
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name[1-[(hexylamino)methyl]cyclohexyl]methanol
SMILESCCCCCCNCC1(CO)CCCCC1
InChIInChI=1S/C14H29NO/c1-2-3-4-8-11-15-12-14(13-16)9-6-5-7-10-14/h15-16H,2-13H2,1H3
InChIKeyCDEYJIRVIWVVEV-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.10
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-[(hexylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(hexylamino)methyl]cyclohexyl]methanol (CID 81412220) is [1-[(hexylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(hexylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(hexylamino)methyl]cyclohexyl]methanol is CCCCCCNCC1(CO)CCCCC1.
What is the InChIKey of [1-[(hexylamino)methyl]cyclohexyl]methanol?
The InChIKey is CDEYJIRVIWVVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-2-3-4-8-11-15-12-14(13-16)9-6-5-7-10-14/h15-16H,2-13H2,1H3.
What are the key properties of [1-[(hexylamino)methyl]cyclohexyl]methanol?
[1-[(hexylamino)methyl]cyclohexyl]methanol has a molecular weight of 227.39 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(hexylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81412220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).