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

C15H34N2 — CID 79470505

IUPACN'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine
SMILESCCC(C)CN(CC)CCC(CN)CC(C)C
InChIInChI=1S/C15H34N2/c1-6-14(5)12-17(7-2)9-8-15(11-16)10-13(3)4/h13-15H,6-12,16H2,1-5H3
InChIKeyCGYJLFNENAWAKP-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.37
Rot. Bonds10

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

N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine (PubChem CID 79470505) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine
PubChem CID79470505
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC NameN'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine
SMILESCCC(C)CN(CC)CCC(CN)CC(C)C
InChIInChI=1S/C15H34N2/c1-6-14(5)12-17(7-2)9-8-15(11-16)10-13(3)4/h13-15H,6-12,16H2,1-5H3
InChIKeyCGYJLFNENAWAKP-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine
CID 112736909
N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine
CID 81080503
4-[ethyl(2-methylbutyl)amino]butan-2-ol
CID 79482541
N'-ethyl-N'-(2-ethyl-4-methylpentyl)-N,N-dimethylethane-1,2-diamine
CID 178004970
3-(aminomethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)hexanamide
CID 79469974
1-N-(2,4-dimethylpentyl)-1-N-ethyl-3-N-methylpentane-1,3-diamine
CID 123593300
2-[ethyl(2-methylbutyl)amino]ethanol
CID 62105905
N'-butyl-N',2-diethylbutane-1,4-diamine
CID 81079998
N',2-diethyl-N'-(2-methylprop-2-enyl)butane-1,4-diamine
CID 81079886
2-[6-methyl-2-[4-methyl-2-(2-methylpropyl)pentyl]-4-(2-methylpropyl)heptyl]propane-1,3-diamine
CID 176735461
2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide
CID 79481579
N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 79481346

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine (CID 79470505) is N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine is CCC(C)CN(CC)CCC(CN)CC(C)C.
What is the InChIKey of N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine?
The InChIKey is CGYJLFNENAWAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-6-14(5)12-17(7-2)9-8-15(11-16)10-13(3)4/h13-15H,6-12,16H2,1-5H3.
What are the key properties of N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine?
N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.37, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine is sourced from PubChem (CID 79470505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).