1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine

C13H28N2O — CID 81102490

IUPAC1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine
SMILESCOCCCC(N)CN(C)C1CCCCC1
InChIInChI=1S/C13H28N2O/c1-15(13-8-4-3-5-9-13)11-12(14)7-6-10-16-2/h12-13H,3-11,14H2,1-2H3
InChIKeyCFASUSQXEPLZHI-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.00
Rot. Bonds7

About 1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine

1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine (PubChem CID 81102490) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine
PubChem CID81102490
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine
SMILESCOCCCC(N)CN(C)C1CCCCC1
InChIInChI=1S/C13H28N2O/c1-15(13-8-4-3-5-9-13)11-12(14)7-6-10-16-2/h12-13H,3-11,14H2,1-2H3
InChIKeyCFASUSQXEPLZHI-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.00
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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Related Compounds

5-methoxy-1-N-methyl-1-N-(oxan-4-yl)pentane-1,2-diamine
CID 81101623
5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine
CID 81101856
1-cyclohexyl-5-methoxypentan-2-amine
CID 65092031
2-amino-3-[cycloheptyl(methyl)amino]propan-1-ol
CID 64797293
1-N-cyclopropyl-5-methoxy-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 81100919
1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine
CID 114264928
1-N-cyclopropyl-5-methoxy-1-N-(3-methylbutyl)pentane-1,2-diamine
CID 81101876
1-N-cyclohexyl-1-N-methyl-4-phenylbutane-1,2-diamine
CID 114929489
2-amino-N-cyclopentyl-5-methoxy-N-methylpentanamide
CID 81081449
3-methoxy-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine
CID 64775509
3-methoxy-1-N-methyl-1-N-(oxan-4-yl)propane-1,2-diamine
CID 63937893
3-amino-4-[cyclohexyl(methyl)amino]butanoic acid
CID 115241626

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine?
The IUPAC name of 1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine (CID 81102490) is 1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine is COCCCC(N)CN(C)C1CCCCC1.
What is the InChIKey of 1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine?
The InChIKey is CFASUSQXEPLZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-15(13-8-4-3-5-9-13)11-12(14)7-6-10-16-2/h12-13H,3-11,14H2,1-2H3.
What are the key properties of 1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine?
1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine is sourced from PubChem (CID 81102490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).