N-methyl-4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexan-1-amine

C15H30N2O — CID 22567622

IUPACN-methyl-4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexan-1-amine
SMILESC=CCN(C)CCCCOC1CCC(NC)CC1
InChIInChI=1S/C15H30N2O/c1-4-11-17(3)12-5-6-13-18-15-9-7-14(16-2)8-10-15/h4,14-16H,1,5-13H2,2-3H3
InChIKeySBABWBUFIIVCIZ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.43
Rot. Bonds9

About N-methyl-4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexan-1-amine

N-methyl-4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexan-1-amine (PubChem CID 22567622) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-methyl-4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexan-1-amine
PubChem CID22567622
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-methyl-4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexan-1-amine
SMILESC=CCN(C)CCCCOC1CCC(NC)CC1
InChIInChI=1S/C15H30N2O/c1-4-11-17(3)12-5-6-13-18-15-9-7-14(16-2)8-10-15/h4,14-16H,1,5-13H2,2-3H3
InChIKeySBABWBUFIIVCIZ-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexan-1-amine (CID 22567622) is N-methyl-4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexan-1-amine is C=CCN(C)CCCCOC1CCC(NC)CC1.
What is the InChIKey of N-methyl-4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexan-1-amine?
The InChIKey is SBABWBUFIIVCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-11-17(3)12-5-6-13-18-15-9-7-14(16-2)8-10-15/h4,14-16H,1,5-13H2,2-3H3.
What are the key properties of N-methyl-4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexan-1-amine?
N-methyl-4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexan-1-amine is sourced from PubChem (CID 22567622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).