2-[[3-methoxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-amine

C15H32N2O — CID 63007747

IUPAC2-[[3-methoxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CN(C)CCCOC)C1
InChIInChI=1S/C15H32N2O/c1-4-6-13-7-8-15(16)14(11-13)12-17(2)9-5-10-18-3/h13-15H,4-12,16H2,1-3H3
InChIKeyFZVFEMUMJTYQJP-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.50
Rot. Bonds8

About 2-[[3-methoxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-amine

2-[[3-methoxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-amine (PubChem CID 63007747) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-[[3-methoxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[3-methoxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-amine
PubChem CID63007747
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-[[3-methoxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CN(C)CCCOC)C1
InChIInChI=1S/C15H32N2O/c1-4-6-13-7-8-15(16)14(11-13)12-17(2)9-5-10-18-3/h13-15H,4-12,16H2,1-3H3
InChIKeyFZVFEMUMJTYQJP-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of 2-[[3-methoxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-amine (CID 63007747) is 2-[[3-methoxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[[3-methoxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-[[3-methoxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(CN(C)CCCOC)C1.
What is the InChIKey of 2-[[3-methoxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-amine?
The InChIKey is FZVFEMUMJTYQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-6-13-7-8-15(16)14(11-13)12-17(2)9-5-10-18-3/h13-15H,4-12,16H2,1-3H3.
What are the key properties of 2-[[3-methoxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-amine?
2-[[3-methoxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63007747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).