1-(1-methoxy-4-methylcyclohexyl)-N-methylpent-3-yn-1-amine

C14H25NO — CID 116766560

IUPAC1-(1-methoxy-4-methylcyclohexyl)-N-methylpent-3-yn-1-amine
SMILESCC#CCC(NC)C1(OC)CCC(C)CC1
InChIInChI=1S/C14H25NO/c1-5-6-7-13(15-3)14(16-4)10-8-12(2)9-11-14/h12-13,15H,7-11H2,1-4H3
InChIKeyJGNGEXMXMCSQCY-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.58
Rot. Bonds4

About 1-(1-methoxy-4-methylcyclohexyl)-N-methylpent-3-yn-1-amine

1-(1-methoxy-4-methylcyclohexyl)-N-methylpent-3-yn-1-amine (PubChem CID 116766560) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(1-methoxy-4-methylcyclohexyl)-N-methylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-(1-methoxy-4-methylcyclohexyl)-N-methylpent-3-yn-1-amine
PubChem CID116766560
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(1-methoxy-4-methylcyclohexyl)-N-methylpent-3-yn-1-amine
SMILESCC#CCC(NC)C1(OC)CCC(C)CC1
InChIInChI=1S/C14H25NO/c1-5-6-7-13(15-3)14(16-4)10-8-12(2)9-11-14/h12-13,15H,7-11H2,1-4H3
InChIKeyJGNGEXMXMCSQCY-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)-N-methylpent-3-yn-1-amine?
The IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)-N-methylpent-3-yn-1-amine (CID 116766560) is 1-(1-methoxy-4-methylcyclohexyl)-N-methylpent-3-yn-1-amine.
What is the SMILES notation for 1-(1-methoxy-4-methylcyclohexyl)-N-methylpent-3-yn-1-amine?
The canonical SMILES for 1-(1-methoxy-4-methylcyclohexyl)-N-methylpent-3-yn-1-amine is CC#CCC(NC)C1(OC)CCC(C)CC1.
What is the InChIKey of 1-(1-methoxy-4-methylcyclohexyl)-N-methylpent-3-yn-1-amine?
The InChIKey is JGNGEXMXMCSQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-6-7-13(15-3)14(16-4)10-8-12(2)9-11-14/h12-13,15H,7-11H2,1-4H3.
What are the key properties of 1-(1-methoxy-4-methylcyclohexyl)-N-methylpent-3-yn-1-amine?
1-(1-methoxy-4-methylcyclohexyl)-N-methylpent-3-yn-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4-methylcyclohexyl)-N-methylpent-3-yn-1-amine is sourced from PubChem (CID 116766560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).