1-(methylamino)-5-(4-methylcyclohexyl)hept-6-en-1-ol

C15H29NO — CID 137419450

IUPAC1-(methylamino)-5-(4-methylcyclohexyl)hept-6-en-1-ol
SMILESC=CC(CCCC(O)NC)C1CCC(C)CC1
InChIInChI=1S/C15H29NO/c1-4-13(6-5-7-15(17)16-3)14-10-8-12(2)9-11-14/h4,12-17H,1,5-11H2,2-3H3
InChIKeyYSWDOKQNEANYJK-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.32
Rot. Bonds7

About 1-(methylamino)-5-(4-methylcyclohexyl)hept-6-en-1-ol

1-(methylamino)-5-(4-methylcyclohexyl)hept-6-en-1-ol (PubChem CID 137419450) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(methylamino)-5-(4-methylcyclohexyl)hept-6-en-1-ol.

Molecular Properties

Compound Name1-(methylamino)-5-(4-methylcyclohexyl)hept-6-en-1-ol
PubChem CID137419450
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(methylamino)-5-(4-methylcyclohexyl)hept-6-en-1-ol
SMILESC=CC(CCCC(O)NC)C1CCC(C)CC1
InChIInChI=1S/C15H29NO/c1-4-13(6-5-7-15(17)16-3)14-10-8-12(2)9-11-14/h4,12-17H,1,5-11H2,2-3H3
InChIKeyYSWDOKQNEANYJK-UHFFFAOYSA-N
XLogP3.32
TPSA32.26 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 ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-5-(4-methylcyclohexyl)hept-6-en-1-ol?
The IUPAC name of 1-(methylamino)-5-(4-methylcyclohexyl)hept-6-en-1-ol (CID 137419450) is 1-(methylamino)-5-(4-methylcyclohexyl)hept-6-en-1-ol.
What is the SMILES notation for 1-(methylamino)-5-(4-methylcyclohexyl)hept-6-en-1-ol?
The canonical SMILES for 1-(methylamino)-5-(4-methylcyclohexyl)hept-6-en-1-ol is C=CC(CCCC(O)NC)C1CCC(C)CC1.
What is the InChIKey of 1-(methylamino)-5-(4-methylcyclohexyl)hept-6-en-1-ol?
The InChIKey is YSWDOKQNEANYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-13(6-5-7-15(17)16-3)14-10-8-12(2)9-11-14/h4,12-17H,1,5-11H2,2-3H3.
What are the key properties of 1-(methylamino)-5-(4-methylcyclohexyl)hept-6-en-1-ol?
1-(methylamino)-5-(4-methylcyclohexyl)hept-6-en-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-5-(4-methylcyclohexyl)hept-6-en-1-ol is sourced from PubChem (CID 137419450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).