N-methyl-4-[7-[methyl(pentyl)amino]heptoxy]cyclohexan-1-amine

C20H42N2O — CID 70022047

IUPACN-methyl-4-[7-[methyl(pentyl)amino]heptoxy]cyclohexan-1-amine
SMILESCCCCCN(C)CCCCCCCOC1CCC(NC)CC1
InChIInChI=1S/C20H42N2O/c1-4-5-9-16-22(3)17-10-7-6-8-11-18-23-20-14-12-19(21-2)13-15-20/h19-21H,4-18H2,1-3H3
InChIKeyFESXTCDOKHWSOE-UHFFFAOYSA-N
MW326.57 g/mol
LogP4.61
Rot. Bonds14

About N-methyl-4-[7-[methyl(pentyl)amino]heptoxy]cyclohexan-1-amine

N-methyl-4-[7-[methyl(pentyl)amino]heptoxy]cyclohexan-1-amine (PubChem CID 70022047) has the molecular formula C20H42N2O and a molecular weight of 326.57 g/mol. Its IUPAC name is N-methyl-4-[7-[methyl(pentyl)amino]heptoxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[7-[methyl(pentyl)amino]heptoxy]cyclohexan-1-amine
PubChem CID70022047
Molecular FormulaC20H42N2O
Molecular Weight326.57 g/mol
Exact Mass326.33
IUPAC NameN-methyl-4-[7-[methyl(pentyl)amino]heptoxy]cyclohexan-1-amine
SMILESCCCCCN(C)CCCCCCCOC1CCC(NC)CC1
InChIInChI=1S/C20H42N2O/c1-4-5-9-16-22(3)17-10-7-6-8-11-18-23-20-14-12-19(21-2)13-15-20/h19-21H,4-18H2,1-3H3
InChIKeyFESXTCDOKHWSOE-UHFFFAOYSA-N
XLogP4.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[7-[methyl(pentyl)amino]heptoxy]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[7-[methyl(pentyl)amino]heptoxy]cyclohexan-1-amine (CID 70022047) is N-methyl-4-[7-[methyl(pentyl)amino]heptoxy]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[7-[methyl(pentyl)amino]heptoxy]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[7-[methyl(pentyl)amino]heptoxy]cyclohexan-1-amine is CCCCCN(C)CCCCCCCOC1CCC(NC)CC1.
What is the InChIKey of N-methyl-4-[7-[methyl(pentyl)amino]heptoxy]cyclohexan-1-amine?
The InChIKey is FESXTCDOKHWSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2O/c1-4-5-9-16-22(3)17-10-7-6-8-11-18-23-20-14-12-19(21-2)13-15-20/h19-21H,4-18H2,1-3H3.
What are the key properties of N-methyl-4-[7-[methyl(pentyl)amino]heptoxy]cyclohexan-1-amine?
N-methyl-4-[7-[methyl(pentyl)amino]heptoxy]cyclohexan-1-amine has a molecular weight of 326.57 g/mol, XLogP of 4.61, 14 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(pentyl)amino]heptoxy]cyclohexan-1-amine is sourced from PubChem (CID 70022047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).