N-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine

C15H36N4 — CID 58965211

IUPACN-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine
SMILESCCNCCCNCCCNCCCNCC(C)C
InChIInChI=1S/C15H36N4/c1-4-16-8-5-9-17-10-6-11-18-12-7-13-19-14-15(2)3/h15-19H,4-14H2,1-3H3
InChIKeyDQAAOVRKMOXJJQ-UHFFFAOYSA-N
MW272.48 g/mol
LogP1.19
Rot. Bonds15

About N-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine

N-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine (PubChem CID 58965211) has the molecular formula C15H36N4 and a molecular weight of 272.48 g/mol. Its IUPAC name is N-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine
PubChem CID58965211
Molecular FormulaC15H36N4
Molecular Weight272.48 g/mol
Exact Mass272.29
IUPAC NameN-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine
SMILESCCNCCCNCCCNCCCNCC(C)C
InChIInChI=1S/C15H36N4/c1-4-16-8-5-9-17-10-6-11-18-12-7-13-19-14-15(2)3/h15-19H,4-14H2,1-3H3
InChIKeyDQAAOVRKMOXJJQ-UHFFFAOYSA-N
XLogP1.19
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-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-methylpropyl)propane-1,3-diamine
CID 55209612
N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide
CID 15951507
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
N-[3-(ethylamino)propyl]-N'-(2-ethylbutyl)butane-1,4-diamine
CID 58965152
N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405465
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-(2-methoxyethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62570429
N-[3-(ethylamino)propyl]-N'-[3-(3-methylbutylamino)propyl]butane-1,4-diamine;methane;tetrahydrobromide
CID 161368262
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
N-ethyl-N'-(5-methylhexyl)ethane-1,2-diamine
CID 115326127
2-methyl-N-propylpropan-1-amine
CID 520943
N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine (CID 58965211) is N-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine is CCNCCCNCCCNCCCNCC(C)C.
What is the InChIKey of N-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine?
The InChIKey is DQAAOVRKMOXJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36N4/c1-4-16-8-5-9-17-10-6-11-18-12-7-13-19-14-15(2)3/h15-19H,4-14H2,1-3H3.
What are the key properties of N-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine?
N-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine has a molecular weight of 272.48 g/mol, XLogP of 1.19, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine is sourced from PubChem (CID 58965211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).