N-butyl-N-ethyl-2-methylpentane-1,5-diamine

C12H28N2 — CID 104681772

IUPACN-butyl-N-ethyl-2-methylpentane-1,5-diamine
SMILESCCCCN(CC)CC(C)CCCN
InChIInChI=1S/C12H28N2/c1-4-6-10-14(5-2)11-12(3)8-7-9-13/h12H,4-11,13H2,1-3H3
InChIKeyMVXWDNGKAYNQNV-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.48
Rot. Bonds9

About N-butyl-N-ethyl-2-methylpentane-1,5-diamine

N-butyl-N-ethyl-2-methylpentane-1,5-diamine (PubChem CID 104681772) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-methylpentane-1,5-diamine
PubChem CID104681772
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN-butyl-N-ethyl-2-methylpentane-1,5-diamine
SMILESCCCCN(CC)CC(C)CCCN
InChIInChI=1S/C12H28N2/c1-4-6-10-14(5-2)11-12(3)8-7-9-13/h12H,4-11,13H2,1-3H3
InChIKeyMVXWDNGKAYNQNV-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butyl-N-ethyl-2-methylpentane-1,5-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-2-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 89326365
(2R)-N,N-diethyl-2-methylhexan-1-amine
CID 129390347
N-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine
CID 102994226
N'-butyl-N'-ethylpropane-1,3-diamine
CID 16768199
N'-(2-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62264489
N'-dodecyl-N,N-diethyl-N'-(2-methyldodecyl)methanediamine
CID 171517809
N',N'-dibutylpropane-1,3-diamine;ethane
CID 170746351
N'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine
CID 62923464
N,N'-bis(3-aminopropyl)-N-butyl-N',3-diethylpentane-1,5-diamine
CID 135177575
N',N'-diethylpropane-1,3-diamine;docosane
CID 174486105
4-methylheptan-1-amine
CID 18618988
2-[butyl(2-methylpentyl)amino]ethanol
CID 62266090

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-methylpentane-1,5-diamine?
The IUPAC name of N-butyl-N-ethyl-2-methylpentane-1,5-diamine (CID 104681772) is N-butyl-N-ethyl-2-methylpentane-1,5-diamine.
What is the SMILES notation for N-butyl-N-ethyl-2-methylpentane-1,5-diamine?
The canonical SMILES for N-butyl-N-ethyl-2-methylpentane-1,5-diamine is CCCCN(CC)CC(C)CCCN.
What is the InChIKey of N-butyl-N-ethyl-2-methylpentane-1,5-diamine?
The InChIKey is MVXWDNGKAYNQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-4-6-10-14(5-2)11-12(3)8-7-9-13/h12H,4-11,13H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-2-methylpentane-1,5-diamine?
N-butyl-N-ethyl-2-methylpentane-1,5-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-methylpentane-1,5-diamine is sourced from PubChem (CID 104681772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).