[2-(hept-6-enylamino)cyclohexyl]methanol

C14H27NO — CID 107167051

IUPAC[2-(hept-6-enylamino)cyclohexyl]methanol
SMILESC=CCCCCCNC1CCCCC1CO
InChIInChI=1S/C14H27NO/c1-2-3-4-5-8-11-15-14-10-7-6-9-13(14)12-16/h2,13-16H,1,3-12H2
InChIKeyBZUFNEOOVXXUSH-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.87
Rot. Bonds8

About [2-(hept-6-enylamino)cyclohexyl]methanol

[2-(hept-6-enylamino)cyclohexyl]methanol (PubChem CID 107167051) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is [2-(hept-6-enylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[2-(hept-6-enylamino)cyclohexyl]methanol
PubChem CID107167051
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name[2-(hept-6-enylamino)cyclohexyl]methanol
SMILESC=CCCCCCNC1CCCCC1CO
InChIInChI=1S/C14H27NO/c1-2-3-4-5-8-11-15-14-10-7-6-9-13(14)12-16/h2,13-16H,1,3-12H2
InChIKeyBZUFNEOOVXXUSH-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(pent-4-enylamino)cyclohexane-1-carboxamide
CID 86803782
N-hept-6-enylcyclobutanamine
CID 107006782
N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]pent-4-enamide
CID 89374191
[2-[2-(dimethylamino)ethylamino]cyclohexyl]methanol
CID 104934564
3-[[2-(hydroxymethyl)cyclohexyl]amino]propanenitrile
CID 106361139
1-but-3-enyl-3-[(1R,2R)-2-(dec-9-enylcarbamoylamino)cyclohexyl]urea
CID 102018358
2-cyclopropyl-N-hept-6-enyloxolan-3-amine
CID 107167060
N-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine
CID 107006523
4-(hept-6-enylamino)cyclohexane-1-carboxylic acid
CID 107007791
[(1S,2S)-2-ethenylcyclohexyl]methanol
CID 22854364
2-ethyl-N-heptylcyclohexan-1-amine
CID 43709374
[2-(2-ethylsulfanylethylamino)cyclopentyl]methanol
CID 104668665

Frequently Asked Questions

What is the IUPAC name of [2-(hept-6-enylamino)cyclohexyl]methanol?
The IUPAC name of [2-(hept-6-enylamino)cyclohexyl]methanol (CID 107167051) is [2-(hept-6-enylamino)cyclohexyl]methanol.
What is the SMILES notation for [2-(hept-6-enylamino)cyclohexyl]methanol?
The canonical SMILES for [2-(hept-6-enylamino)cyclohexyl]methanol is C=CCCCCCNC1CCCCC1CO.
What is the InChIKey of [2-(hept-6-enylamino)cyclohexyl]methanol?
The InChIKey is BZUFNEOOVXXUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-3-4-5-8-11-15-14-10-7-6-9-13(14)12-16/h2,13-16H,1,3-12H2.
What are the key properties of [2-(hept-6-enylamino)cyclohexyl]methanol?
[2-(hept-6-enylamino)cyclohexyl]methanol has a molecular weight of 225.38 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hept-6-enylamino)cyclohexyl]methanol is sourced from PubChem (CID 107167051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).