N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine

C12H28N2 — CID 81080503

IUPACN'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine
SMILESCCC(C)CN(CC)CCC(C)CN
InChIInChI=1S/C12H28N2/c1-5-11(3)10-14(6-2)8-7-12(4)9-13/h11-12H,5-10,13H2,1-4H3
InChIKeyROYQYSUKGQXHJU-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.34
Rot. Bonds8

About N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine

N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine (PubChem CID 81080503) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine
PubChem CID81080503
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine
SMILESCCC(C)CN(CC)CCC(C)CN
InChIInChI=1S/C12H28N2/c1-5-11(3)10-14(6-2)8-7-12(4)9-13/h11-12H,5-10,13H2,1-4H3
InChIKeyROYQYSUKGQXHJU-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-ethyl-2-methyl-N'-(2-methylbutyl)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'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine
CID 79470505
(2S)-N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine
CID 112736909
4-[ethyl(2-methylbutyl)amino]butan-2-ol
CID 79482541
2-[ethyl(2-methylbutyl)amino]ethanol
CID 62105905
3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine
CID 145192300
N-ethyl-3-methyl-N-propylpentan-1-amine
CID 126690332
N'-ethyl-N',2-dimethylbutane-1,4-diamine
CID 81079542
ethane;(2S)-2-methylbutan-1-amine
CID 168995641
N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 43295447
2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide
CID 79481579
N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 79481346
1-N-ethyl-4-N-methyl-1-N-(2-methylbutyl)pentane-1,4-diamine
CID 79478022

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine?
The IUPAC name of N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine (CID 81080503) is N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine.
What is the SMILES notation for N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine?
The canonical SMILES for N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine is CCC(C)CN(CC)CCC(C)CN.
What is the InChIKey of N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine?
The InChIKey is ROYQYSUKGQXHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-11(3)10-14(6-2)8-7-12(4)9-13/h11-12H,5-10,13H2,1-4H3.
What are the key properties of N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine?
N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine is sourced from PubChem (CID 81080503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).