N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine

C13H30N2 — CID 62422401

IUPACN'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
SMILESCC(C)CNCCCCN(C)CC(C)C
InChIInChI=1S/C13H30N2/c1-12(2)10-14-8-6-7-9-15(5)11-13(3)4/h12-14H,6-11H2,1-5H3
InChIKeyKAYYSFYBBHHNLA-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.60
Rot. Bonds9

About N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine

N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine (PubChem CID 62422401) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
PubChem CID62422401
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
SMILESCC(C)CNCCCCN(C)CC(C)C
InChIInChI=1S/C13H30N2/c1-12(2)10-14-8-6-7-9-15(5)11-13(3)4/h12-14H,6-11H2,1-5H3
InChIKeyKAYYSFYBBHHNLA-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.60
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,N'-bis(2-methylpropyl)butane-1,4-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,N'-bis(2-methylpropyl)propane-1,3-diamine
CID 62421290
N'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine
CID 62421110
N'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine
CID 62426095
N-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 62422222
N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591894
N'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine
CID 63527329
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-(2-methylpropyl)pentane-1,5-diamine
CID 63865609
N'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 62854578
N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62428833
N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine
CID 63725817
N'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine
CID 65486366
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine?
The IUPAC name of N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine (CID 62422401) is N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine.
What is the SMILES notation for N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine?
The canonical SMILES for N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine is CC(C)CNCCCCN(C)CC(C)C.
What is the InChIKey of N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine?
The InChIKey is KAYYSFYBBHHNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-12(2)10-14-8-6-7-9-15(5)11-13(3)4/h12-14H,6-11H2,1-5H3.
What are the key properties of N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine?
N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine is sourced from PubChem (CID 62422401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).