N-methyl-4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexan-1-amine

C14H28N2O — CID 22567695

IUPACN-methyl-4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexan-1-amine
SMILESC=CCN(C)CCCOC1CCC(NC)CC1
InChIInChI=1S/C14H28N2O/c1-4-10-16(3)11-5-12-17-14-8-6-13(15-2)7-9-14/h4,13-15H,1,5-12H2,2-3H3
InChIKeyYQHIUNSRDAOESF-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.04
Rot. Bonds8

About N-methyl-4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexan-1-amine

N-methyl-4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexan-1-amine (PubChem CID 22567695) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-methyl-4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexan-1-amine
PubChem CID22567695
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-methyl-4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexan-1-amine
SMILESC=CCN(C)CCCOC1CCC(NC)CC1
InChIInChI=1S/C14H28N2O/c1-4-10-16(3)11-5-12-17-14-8-6-13(15-2)7-9-14/h4,13-15H,1,5-12H2,2-3H3
InChIKeyYQHIUNSRDAOESF-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.04
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-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexan-1-amine (CID 22567695) is N-methyl-4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexan-1-amine is C=CCN(C)CCCOC1CCC(NC)CC1.
What is the InChIKey of N-methyl-4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexan-1-amine?
The InChIKey is YQHIUNSRDAOESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-10-16(3)11-5-12-17-14-8-6-13(15-2)7-9-14/h4,13-15H,1,5-12H2,2-3H3.
What are the key properties of N-methyl-4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexan-1-amine?
N-methyl-4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexan-1-amine is sourced from PubChem (CID 22567695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).