N-methyl-4-[7-[methyl(prop-2-enyl)amino]heptoxy]cyclohexan-1-amine

C18H36N2O — CID 22568094

IUPACN-methyl-4-[7-[methyl(prop-2-enyl)amino]heptoxy]cyclohexan-1-amine
SMILESC=CCN(C)CCCCCCCOC1CCC(NC)CC1
InChIInChI=1S/C18H36N2O/c1-4-14-20(3)15-8-6-5-7-9-16-21-18-12-10-17(19-2)11-13-18/h4,17-19H,1,5-16H2,2-3H3
InChIKeyNDQNWHAWCRFZHI-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.60
Rot. Bonds12

About N-methyl-4-[7-[methyl(prop-2-enyl)amino]heptoxy]cyclohexan-1-amine

N-methyl-4-[7-[methyl(prop-2-enyl)amino]heptoxy]cyclohexan-1-amine (PubChem CID 22568094) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-methyl-4-[7-[methyl(prop-2-enyl)amino]heptoxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[7-[methyl(prop-2-enyl)amino]heptoxy]cyclohexan-1-amine
PubChem CID22568094
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-methyl-4-[7-[methyl(prop-2-enyl)amino]heptoxy]cyclohexan-1-amine
SMILESC=CCN(C)CCCCCCCOC1CCC(NC)CC1
InChIInChI=1S/C18H36N2O/c1-4-14-20(3)15-8-6-5-7-9-16-21-18-12-10-17(19-2)11-13-18/h4,17-19H,1,5-16H2,2-3H3
InChIKeyNDQNWHAWCRFZHI-UHFFFAOYSA-N
XLogP3.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.60
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-[7-[methyl(prop-2-enyl)amino]heptoxy]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[7-[methyl(prop-2-enyl)amino]heptoxy]cyclohexan-1-amine (CID 22568094) is N-methyl-4-[7-[methyl(prop-2-enyl)amino]heptoxy]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[7-[methyl(prop-2-enyl)amino]heptoxy]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[7-[methyl(prop-2-enyl)amino]heptoxy]cyclohexan-1-amine is C=CCN(C)CCCCCCCOC1CCC(NC)CC1.
What is the InChIKey of N-methyl-4-[7-[methyl(prop-2-enyl)amino]heptoxy]cyclohexan-1-amine?
The InChIKey is NDQNWHAWCRFZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-14-20(3)15-8-6-5-7-9-16-21-18-12-10-17(19-2)11-13-18/h4,17-19H,1,5-16H2,2-3H3.
What are the key properties of N-methyl-4-[7-[methyl(prop-2-enyl)amino]heptoxy]cyclohexan-1-amine?
N-methyl-4-[7-[methyl(prop-2-enyl)amino]heptoxy]cyclohexan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.60, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[7-[methyl(prop-2-enyl)amino]heptoxy]cyclohexan-1-amine is sourced from PubChem (CID 22568094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).