2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol

C15H29NO — CID 70041706

IUPAC2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol
SMILESC=CC(CC)CC(O)C(N)CC1CCCCC1
InChIInChI=1S/C15H29NO/c1-3-12(4-2)11-15(17)14(16)10-13-8-6-5-7-9-13/h3,12-15,17H,1,4-11,16H2,2H3
InChIKeyVVCKGDUDSYBGGK-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.25
Rot. Bonds7

About 2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol

2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol (PubChem CID 70041706) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol.

Molecular Properties

Compound Name2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol
PubChem CID70041706
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol
SMILESC=CC(CC)CC(O)C(N)CC1CCCCC1
InChIInChI=1S/C15H29NO/c1-3-12(4-2)11-15(17)14(16)10-13-8-6-5-7-9-13/h3,12-15,17H,1,4-11,16H2,2H3
InChIKeyVVCKGDUDSYBGGK-UHFFFAOYSA-N
XLogP3.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol?
The IUPAC name of 2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol (CID 70041706) is 2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol.
What is the SMILES notation for 2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol?
The canonical SMILES for 2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol is C=CC(CC)CC(O)C(N)CC1CCCCC1.
What is the InChIKey of 2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol?
The InChIKey is VVCKGDUDSYBGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-12(4-2)11-15(17)14(16)10-13-8-6-5-7-9-13/h3,12-15,17H,1,4-11,16H2,2H3.
What are the key properties of 2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol?
2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol has a molecular weight of 239.40 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol is sourced from PubChem (CID 70041706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).