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

C13H30N2 — CID 79478022

IUPAC1-N-ethyl-4-N-methyl-1-N-(2-methylbutyl)pentane-1,4-diamine
SMILESCCC(C)CN(CC)CCCC(C)NC
InChIInChI=1S/C13H30N2/c1-6-12(3)11-15(7-2)10-8-9-13(4)14-5/h12-14H,6-11H2,1-5H3
InChIKeyIKMBXJKVENOORK-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.74
Rot. Bonds9

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

1-N-ethyl-4-N-methyl-1-N-(2-methylbutyl)pentane-1,4-diamine (PubChem CID 79478022) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 1-N-ethyl-4-N-methyl-1-N-(2-methylbutyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-N-methyl-1-N-(2-methylbutyl)pentane-1,4-diamine
PubChem CID79478022
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name1-N-ethyl-4-N-methyl-1-N-(2-methylbutyl)pentane-1,4-diamine
SMILESCCC(C)CN(CC)CCCC(C)NC
InChIInChI=1S/C13H30N2/c1-6-12(3)11-15(7-2)10-8-9-13(4)14-5/h12-14H,6-11H2,1-5H3
InChIKeyIKMBXJKVENOORK-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-ethyl-4-N-methyl-1-N-(2-methylbutyl)pentane-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

1-N,4-N-diethyl-1-N-(2-methylbutyl)pentane-1,4-diamine
CID 79477138
4-N-methyl-1-N-octyl-1-N-pentadecylpentane-1,4-diamine
CID 170755203
4-[ethyl(2-methylbutyl)amino]butan-2-ol
CID 79482541
2-[ethyl(2-methylbutyl)amino]ethanol
CID 62105905
N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine
CID 81080503
N'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine
CID 79482264
N,N-diethyl-4-hydrazinylpentan-1-amine
CID 143055875
N-ethyl-4-methyl-N-propylhexan-1-amine
CID 142891130
N-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 138647953
N'-ethyl-N-methyl-N'-(4-methylpentyl)ethane-1,2-diamine
CID 134316858
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
1-N-(2,4-dimethylpentyl)-1-N-ethyl-3-N-methylpentane-1,3-diamine
CID 123593300

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-N-methyl-1-N-(2-methylbutyl)pentane-1,4-diamine?
The IUPAC name of 1-N-ethyl-4-N-methyl-1-N-(2-methylbutyl)pentane-1,4-diamine (CID 79478022) is 1-N-ethyl-4-N-methyl-1-N-(2-methylbutyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-4-N-methyl-1-N-(2-methylbutyl)pentane-1,4-diamine?
The canonical SMILES for 1-N-ethyl-4-N-methyl-1-N-(2-methylbutyl)pentane-1,4-diamine is CCC(C)CN(CC)CCCC(C)NC.
What is the InChIKey of 1-N-ethyl-4-N-methyl-1-N-(2-methylbutyl)pentane-1,4-diamine?
The InChIKey is IKMBXJKVENOORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-12(3)11-15(7-2)10-8-9-13(4)14-5/h12-14H,6-11H2,1-5H3.
What are the key properties of 1-N-ethyl-4-N-methyl-1-N-(2-methylbutyl)pentane-1,4-diamine?
1-N-ethyl-4-N-methyl-1-N-(2-methylbutyl)pentane-1,4-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-N-methyl-1-N-(2-methylbutyl)pentane-1,4-diamine is sourced from PubChem (CID 79478022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).