N'-methyl-N'-(3-methylbutan-2-yl)hexane-1,6-diamine

C12H28N2 — CID 43570225

IUPACN'-methyl-N'-(3-methylbutan-2-yl)hexane-1,6-diamine
SMILESCC(C)C(C)N(C)CCCCCCN
InChIInChI=1S/C12H28N2/c1-11(2)12(3)14(4)10-8-6-5-7-9-13/h11-12H,5-10,13H2,1-4H3
InChIKeyKANUUVKIWHKYSK-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.48
Rot. Bonds8

About N'-methyl-N'-(3-methylbutan-2-yl)hexane-1,6-diamine

N'-methyl-N'-(3-methylbutan-2-yl)hexane-1,6-diamine (PubChem CID 43570225) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N'-methyl-N'-(3-methylbutan-2-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(3-methylbutan-2-yl)hexane-1,6-diamine
PubChem CID43570225
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN'-methyl-N'-(3-methylbutan-2-yl)hexane-1,6-diamine
SMILESCC(C)C(C)N(C)CCCCCCN
InChIInChI=1S/C12H28N2/c1-11(2)12(3)14(4)10-8-6-5-7-9-13/h11-12H,5-10,13H2,1-4H3
InChIKeyKANUUVKIWHKYSK-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-methyl-N'-(3-methylbutan-2-yl)hexane-1,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 16748474
N'-methyl-N'-pentan-2-ylhexane-1,6-diamine
CID 43572239
N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)pentane-1,5-diamine
CID 62434303
N',N'-dimethylicosane-1,20-diamine
CID 54351766
N',N'-dimethylheptane-1,7-diamine
CID 3822076
N',N'-dimethylpentane-1,5-diamine
CID 3465925
N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)butane-1,4-diamine
CID 62432648
1-N,4-N,4-N,5-tetramethyl-1-N-(3-methylbutan-2-yl)hexane-1,4-diamine
CID 138662279
N'-methyl-N'-(1-methylsulfanylbutan-2-yl)heptane-1,7-diamine
CID 112660940
N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine
CID 57004343
N',N'-di(propan-2-yl)butane-1,4-diamine
CID 15365351
1-[5-aminopentyl(1-hydroxyethyl)amino]ethanol
CID 87634485

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(3-methylbutan-2-yl)hexane-1,6-diamine?
The IUPAC name of N'-methyl-N'-(3-methylbutan-2-yl)hexane-1,6-diamine (CID 43570225) is N'-methyl-N'-(3-methylbutan-2-yl)hexane-1,6-diamine.
What is the SMILES notation for N'-methyl-N'-(3-methylbutan-2-yl)hexane-1,6-diamine?
The canonical SMILES for N'-methyl-N'-(3-methylbutan-2-yl)hexane-1,6-diamine is CC(C)C(C)N(C)CCCCCCN.
What is the InChIKey of N'-methyl-N'-(3-methylbutan-2-yl)hexane-1,6-diamine?
The InChIKey is KANUUVKIWHKYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-11(2)12(3)14(4)10-8-6-5-7-9-13/h11-12H,5-10,13H2,1-4H3.
What are the key properties of N'-methyl-N'-(3-methylbutan-2-yl)hexane-1,6-diamine?
N'-methyl-N'-(3-methylbutan-2-yl)hexane-1,6-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(3-methylbutan-2-yl)hexane-1,6-diamine is sourced from PubChem (CID 43570225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).