2-N-(4-methoxybutyl)-2-N-methylcyclohexane-1,2-diamine

C12H26N2O — CID 102639927

IUPAC2-N-(4-methoxybutyl)-2-N-methylcyclohexane-1,2-diamine
SMILESCOCCCCN(C)C1CCCCC1N
InChIInChI=1S/C12H26N2O/c1-14(9-5-6-10-15-2)12-8-4-3-7-11(12)13/h11-12H,3-10,13H2,1-2H3
InChIKeyPWIIKAHNWWCKGH-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds6

About 2-N-(4-methoxybutyl)-2-N-methylcyclohexane-1,2-diamine

2-N-(4-methoxybutyl)-2-N-methylcyclohexane-1,2-diamine (PubChem CID 102639927) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-N-(4-methoxybutyl)-2-N-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methoxybutyl)-2-N-methylcyclohexane-1,2-diamine
PubChem CID102639927
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-N-(4-methoxybutyl)-2-N-methylcyclohexane-1,2-diamine
SMILESCOCCCCN(C)C1CCCCC1N
InChIInChI=1S/C12H26N2O/c1-14(9-5-6-10-15-2)12-8-4-3-7-11(12)13/h11-12H,3-10,13H2,1-2H3
InChIKeyPWIIKAHNWWCKGH-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

2-N-(3-methoxypropyl)-2-N-methylcyclododecane-1,2-diamine
CID 63468227
2-N-(2-methoxyethyl)-2-N-methylcyclooctane-1,2-diamine
CID 61427471
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine
CID 62984804
1-N-butyl-1-N-methylcyclopentane-1,2-diamine
CID 43184025
4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine
CID 115741538
2-N-methyl-2-N-(2-propan-2-yloxyethyl)cyclooctane-1,2-diamine
CID 81056474
2-N-(3-methoxypropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 62983959
N-(2-aminocyclohexyl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 102639350
trans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol
CID 102734703
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine
CID 80997660
4-[(2-aminocyclohexyl)-methylamino]-N,N-dimethylbutanamide
CID 102639944
2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine
CID 112663651

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxybutyl)-2-N-methylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-(4-methoxybutyl)-2-N-methylcyclohexane-1,2-diamine (CID 102639927) is 2-N-(4-methoxybutyl)-2-N-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(4-methoxybutyl)-2-N-methylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(4-methoxybutyl)-2-N-methylcyclohexane-1,2-diamine is COCCCCN(C)C1CCCCC1N.
What is the InChIKey of 2-N-(4-methoxybutyl)-2-N-methylcyclohexane-1,2-diamine?
The InChIKey is PWIIKAHNWWCKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-14(9-5-6-10-15-2)12-8-4-3-7-11(12)13/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 2-N-(4-methoxybutyl)-2-N-methylcyclohexane-1,2-diamine?
2-N-(4-methoxybutyl)-2-N-methylcyclohexane-1,2-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 2-N-(4-methoxybutyl)-2-N-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 102639927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).