N'-methyl-N'-propan-2-ylbutane-1,4-diamine

C8H20N2 — CID 16748474

IUPACN'-methyl-N'-propan-2-ylbutane-1,4-diamine
SMILESCC(C)N(C)CCCCN
InChIInChI=1S/C8H20N2/c1-8(2)10(3)7-5-4-6-9/h8H,4-7,9H2,1-3H3
InChIKeyBBEOCWDIZZEPIR-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.07
Rot. Bonds5

About N'-methyl-N'-propan-2-ylbutane-1,4-diamine

N'-methyl-N'-propan-2-ylbutane-1,4-diamine (PubChem CID 16748474) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-ylbutane-1,4-diamine
PubChem CID16748474
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC NameN'-methyl-N'-propan-2-ylbutane-1,4-diamine
SMILESCC(C)N(C)CCCCN
InChIInChI=1S/C8H20N2/c1-8(2)10(3)7-5-4-6-9/h8H,4-7,9H2,1-3H3
InChIKeyBBEOCWDIZZEPIR-UHFFFAOYSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.07
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'-propan-2-ylbutane-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'-(3-methylbutan-2-yl)hexane-1,6-diamine
CID 43570225
N',N'-di(propan-2-yl)butane-1,4-diamine
CID 15365351
N'-methyl-N'-pentan-2-ylhexane-1,6-diamine
CID 43572239
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
N-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine
CID 59059943
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
3-bromo-N-methyl-N-propan-2-ylpropan-1-amine
CID 61287527
N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine
CID 167101459
N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
CID 57031301
4-dimethylindiganyl-N-methyl-N-propan-2-ylbutan-1-amine
CID 171588564
N'-methyl-N'-(1-phenylethyl)butane-1,4-diamine
CID 112509797
7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide
CID 62642436

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The IUPAC name of N'-methyl-N'-propan-2-ylbutane-1,4-diamine (CID 16748474) is N'-methyl-N'-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-ylbutane-1,4-diamine is CC(C)N(C)CCCCN.
What is the InChIKey of N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The InChIKey is BBEOCWDIZZEPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-8(2)10(3)7-5-4-6-9/h8H,4-7,9H2,1-3H3.
What are the key properties of N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
N'-methyl-N'-propan-2-ylbutane-1,4-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 16748474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).