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

C14H27NO — CID 107006791

IUPAC[1-(hept-6-enylamino)cyclohexyl]methanol
SMILESC=CCCCCCNC1(CO)CCCCC1
InChIInChI=1S/C14H27NO/c1-2-3-4-5-9-12-15-14(13-16)10-7-6-8-11-14/h2,15-16H,1,3-13H2
InChIKeyPUIGGRJLWPDFJI-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.02
Rot. Bonds8

About [1-(hept-6-enylamino)cyclohexyl]methanol

[1-(hept-6-enylamino)cyclohexyl]methanol (PubChem CID 107006791) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is [1-(hept-6-enylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(hept-6-enylamino)cyclohexyl]methanol
PubChem CID107006791
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name[1-(hept-6-enylamino)cyclohexyl]methanol
SMILESC=CCCCCCNC1(CO)CCCCC1
InChIInChI=1S/C14H27NO/c1-2-3-4-5-9-12-15-14(13-16)10-7-6-8-11-14/h2,15-16H,1,3-13H2
InChIKeyPUIGGRJLWPDFJI-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
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

[1-(hexylamino)cyclohexyl]methanol
CID 62519893
N-hept-6-enyl-1-methylcyclopentan-1-amine
CID 107006665
[1-(3-fluoropropylamino)cyclohexyl]methanol
CID 81106456
[1-(butylamino)cyclohexyl]methanol
CID 62520970
[1-(2-methylsulfanylethylamino)cyclohexyl]methanol
CID 115909619
1-[(hept-6-enylamino)methyl]cycloheptan-1-ol
CID 107006904
[1-(2-fluoroethylamino)cyclohexyl]methanol
CID 80694044
2-[(1-prop-2-enylcyclohexyl)amino]ethanol
CID 2818347
[1-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexyl]methanol
CID 116615536
1-(hept-6-enylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 107006348
(1-hept-6-enylcyclopropyl)methanol;[1-[5-(methylamino)pentyl]cyclopropyl]methanol
CID 142820170
4-[[1-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylbutanamide
CID 62522036

Frequently Asked Questions

What is the IUPAC name of [1-(hept-6-enylamino)cyclohexyl]methanol?
The IUPAC name of [1-(hept-6-enylamino)cyclohexyl]methanol (CID 107006791) is [1-(hept-6-enylamino)cyclohexyl]methanol.
What is the SMILES notation for [1-(hept-6-enylamino)cyclohexyl]methanol?
The canonical SMILES for [1-(hept-6-enylamino)cyclohexyl]methanol is C=CCCCCCNC1(CO)CCCCC1.
What is the InChIKey of [1-(hept-6-enylamino)cyclohexyl]methanol?
The InChIKey is PUIGGRJLWPDFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-3-4-5-9-12-15-14(13-16)10-7-6-8-11-14/h2,15-16H,1,3-13H2.
What are the key properties of [1-(hept-6-enylamino)cyclohexyl]methanol?
[1-(hept-6-enylamino)cyclohexyl]methanol has a molecular weight of 225.38 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hept-6-enylamino)cyclohexyl]methanol is sourced from PubChem (CID 107006791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).