1-[(hept-6-enylamino)methyl]cyclohexan-1-ol

C14H27NO — CID 107006901

IUPAC1-[(hept-6-enylamino)methyl]cyclohexan-1-ol
SMILESC=CCCCCCNCC1(O)CCCCC1
InChIInChI=1S/C14H27NO/c1-2-3-4-5-9-12-15-13-14(16)10-7-6-8-11-14/h2,15-16H,1,3-13H2
InChIKeyYIAOZBMZNXQMTL-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.02
Rot. Bonds8

About 1-[(hept-6-enylamino)methyl]cyclohexan-1-ol

1-[(hept-6-enylamino)methyl]cyclohexan-1-ol (PubChem CID 107006901) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[(hept-6-enylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(hept-6-enylamino)methyl]cyclohexan-1-ol
PubChem CID107006901
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[(hept-6-enylamino)methyl]cyclohexan-1-ol
SMILESC=CCCCCCNCC1(O)CCCCC1
InChIInChI=1S/C14H27NO/c1-2-3-4-5-9-12-15-13-14(16)10-7-6-8-11-14/h2,15-16H,1,3-13H2
InChIKeyYIAOZBMZNXQMTL-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

trans-(1S,2R)-1-ethenyl-2-(methylamino)cyclohexan-1-ol
CID 96007625
4-But-3-enylpiperidin-4-ol
CID 123326470
3-But-3-enylpiperidin-3-ol
CID 130835884
(3R)-3-methyl-6-prop-2-enylpiperidin-3-ol
CID 176175214
(3S)-3-prop-2-enylpiperidin-3-ol
CID 177330119
1-Ethenyl-2-(methylamino)cyclohexan-1-ol
CID 13703642
4-Piperidin-2-ylhepta-1,6-dien-4-ol
CID 23007806
1-[[2-(Cyclohexen-1-yl)ethylamino]methyl]cyclohexan-1-ol
CID 55038351
1-((Allylamino)methyl)cyclohexan-1-ol
CID 60904128
1-[(Cyclohex-3-en-1-ylmethylamino)methyl]cyclohexan-1-ol
CID 61949002
[1-(But-3-enylamino)cyclohexyl]methanol
CID 64314899
[1-(Pent-4-enylamino)cyclohexyl]methanol
CID 64314900

Frequently Asked Questions

What is the IUPAC name of 1-[(hept-6-enylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(hept-6-enylamino)methyl]cyclohexan-1-ol (CID 107006901) is 1-[(hept-6-enylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(hept-6-enylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(hept-6-enylamino)methyl]cyclohexan-1-ol is C=CCCCCCNCC1(O)CCCCC1.
What is the InChIKey of 1-[(hept-6-enylamino)methyl]cyclohexan-1-ol?
The InChIKey is YIAOZBMZNXQMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-3-4-5-9-12-15-13-14(16)10-7-6-8-11-14/h2,15-16H,1,3-13H2.
What are the key properties of 1-[(hept-6-enylamino)methyl]cyclohexan-1-ol?
1-[(hept-6-enylamino)methyl]cyclohexan-1-ol 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)methyl]cyclohexan-1-ol is sourced from PubChem (CID 107006901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).