N-methyl-4-[5-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine

C16H32N2O — CID 22568111

IUPACN-methyl-4-[5-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine
SMILESC=CCN(C)CCCCCOC1CCC(NC)CC1
InChIInChI=1S/C16H32N2O/c1-4-12-18(3)13-6-5-7-14-19-16-10-8-15(17-2)9-11-16/h4,15-17H,1,5-14H2,2-3H3
InChIKeyPCTORYKOKOHIJD-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.82
Rot. Bonds10

About N-methyl-4-[5-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine

N-methyl-4-[5-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine (PubChem CID 22568111) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-methyl-4-[5-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[5-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine
PubChem CID22568111
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-methyl-4-[5-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine
SMILESC=CCN(C)CCCCCOC1CCC(NC)CC1
InChIInChI=1S/C16H32N2O/c1-4-12-18(3)13-6-5-7-14-19-16-10-8-15(17-2)9-11-16/h4,15-17H,1,5-14H2,2-3H3
InChIKeyPCTORYKOKOHIJD-UHFFFAOYSA-N
XLogP2.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.82
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-[5-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[5-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine (CID 22568111) is N-methyl-4-[5-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[5-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[5-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine is C=CCN(C)CCCCCOC1CCC(NC)CC1.
What is the InChIKey of N-methyl-4-[5-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine?
The InChIKey is PCTORYKOKOHIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-12-18(3)13-6-5-7-14-19-16-10-8-15(17-2)9-11-16/h4,15-17H,1,5-14H2,2-3H3.
What are the key properties of N-methyl-4-[5-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine?
N-methyl-4-[5-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine is sourced from PubChem (CID 22568111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).