N-methyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexan-1-amine

C17H34N2O — CID 11208331

IUPACN-methyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexan-1-amine
SMILESC=CCN(C)CCCCCCOC1CCC(NC)CC1
InChIInChI=1S/C17H34N2O/c1-4-13-19(3)14-7-5-6-8-15-20-17-11-9-16(18-2)10-12-17/h4,16-18H,1,5-15H2,2-3H3
InChIKeyNKLNJFFYXAPBPD-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.21
Rot. Bonds11

About N-methyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexan-1-amine

N-methyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexan-1-amine (PubChem CID 11208331) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-methyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexan-1-amine
PubChem CID11208331
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-methyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexan-1-amine
SMILESC=CCN(C)CCCCCCOC1CCC(NC)CC1
InChIInChI=1S/C17H34N2O/c1-4-13-19(3)14-7-5-6-8-15-20-17-11-9-16(18-2)10-12-17/h4,16-18H,1,5-15H2,2-3H3
InChIKeyNKLNJFFYXAPBPD-UHFFFAOYSA-N
XLogP3.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.21
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-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexan-1-amine (CID 11208331) is N-methyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexan-1-amine is C=CCN(C)CCCCCCOC1CCC(NC)CC1.
What is the InChIKey of N-methyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexan-1-amine?
The InChIKey is NKLNJFFYXAPBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-13-19(3)14-7-5-6-8-15-20-17-11-9-16(18-2)10-12-17/h4,16-18H,1,5-15H2,2-3H3.
What are the key properties of N-methyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexan-1-amine?
N-methyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 3.21, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexan-1-amine is sourced from PubChem (CID 11208331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).