N-ethyl-N'-propylbutane-1,4-diamine

C9H22N2 — CID 54079202

IUPACN-ethyl-N'-propylbutane-1,4-diamine
SMILESCCCNCCCCNCC
InChIInChI=1S/C9H22N2/c1-3-7-11-9-6-5-8-10-4-2/h10-11H,3-9H2,1-2H3
InChIKeyLKDNQWRTAYPQCD-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.38
Rot. Bonds8

About N-ethyl-N'-propylbutane-1,4-diamine

N-ethyl-N'-propylbutane-1,4-diamine (PubChem CID 54079202) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N-ethyl-N'-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN-ethyl-N'-propylbutane-1,4-diamine
PubChem CID54079202
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN-ethyl-N'-propylbutane-1,4-diamine
SMILESCCCNCCCCNCC
InChIInChI=1S/C9H22N2/c1-3-7-11-9-6-5-8-10-4-2/h10-11H,3-9H2,1-2H3
InChIKeyLKDNQWRTAYPQCD-UHFFFAOYSA-N
XLogP1.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-N'-propylbutane-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'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
N'-butyl-N-ethylnonane-1,9-diamine
CID 138750457
N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925
N,N'-diethylpentane-1,5-diamine
CID 15013244
N-ethyl-N'-hexylethane-1,2-diamine
CID 7171940
N-ethyl-N'-hexadecylpropane-1,3-diamine
CID 46736046
N-ethyl-N'-octadecylpropane-1,3-diamine
CID 175605866
N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 58965168
N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
N-propylhexadecan-1-amine
CID 18792182
N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine
CID 21145819

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-propylbutane-1,4-diamine?
The IUPAC name of N-ethyl-N'-propylbutane-1,4-diamine (CID 54079202) is N-ethyl-N'-propylbutane-1,4-diamine.
What is the SMILES notation for N-ethyl-N'-propylbutane-1,4-diamine?
The canonical SMILES for N-ethyl-N'-propylbutane-1,4-diamine is CCCNCCCCNCC.
What is the InChIKey of N-ethyl-N'-propylbutane-1,4-diamine?
The InChIKey is LKDNQWRTAYPQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-3-7-11-9-6-5-8-10-4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of N-ethyl-N'-propylbutane-1,4-diamine?
N-ethyl-N'-propylbutane-1,4-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-propylbutane-1,4-diamine is sourced from PubChem (CID 54079202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).