4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine

C12H26N2O — CID 115741538

IUPAC4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine
SMILESCOCCCCN(C)C1CCC(N)CC1
InChIInChI=1S/C12H26N2O/c1-14(9-3-4-10-15-2)12-7-5-11(13)6-8-12/h11-12H,3-10,13H2,1-2H3
InChIKeyYEEBFOTZAZCCOX-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds6

About 4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine

4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine (PubChem CID 115741538) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine
PubChem CID115741538
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine
SMILESCOCCCCN(C)C1CCC(N)CC1
InChIInChI=1S/C12H26N2O/c1-14(9-3-4-10-15-2)12-7-5-11(13)6-8-12/h11-12H,3-10,13H2,1-2H3
InChIKeyYEEBFOTZAZCCOX-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.61
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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Related Compounds

1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine
CID 104646719
N-(3-methoxypropyl)-N,1-dimethylpiperidin-4-amine
CID 166948035
2-N-(4-methoxybutyl)-2-N-methylcyclohexane-1,2-diamine
CID 102639927
methyl 4-[(4-aminocyclohexyl)-methylamino]butanoate;dihydrochloride
CID 70135287
4-[(4-aminocyclohexyl)-methylamino]butanenitrile
CID 79121422
N'-cyclopropyl-N'-methylhexane-1,6-diamine
CID 43265095
4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
CID 79121272
4-(3-methoxypropyl)cyclohexan-1-amine;hydrochloride
CID 146675825
4-[(4-aminocyclohexyl)-methylamino]-N-methylbutanamide
CID 79120771
3-N-[3-(dimethylamino)propyl]-3-N-methylcyclopentane-1,3-diamine
CID 79469198
4-N-(2-ethylsulfonylethyl)-4-N-methylcyclohexane-1,4-diamine
CID 79121429
4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62806205

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine (CID 115741538) is 4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine is COCCCCN(C)C1CCC(N)CC1.
What is the InChIKey of 4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is YEEBFOTZAZCCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-14(9-3-4-10-15-2)12-7-5-11(13)6-8-12/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine?
4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 115741538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).