N,N'-bis[3-(ethylamino)propyl]butane-1,4-diamine

C14H34N4 — CID 4283

IUPACN,N'-bis[3-(ethylamino)propyl]butane-1,4-diamine
SMILESCCNCCCNCCCCNCCCNCC
InChIInChI=1S/C14H34N4/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2/h15-18H,3-14H2,1-2H3
InChIKeyPGMIWVSHZMWSSI-UHFFFAOYSA-N
MW258.45 g/mol
LogP0.94
Rot. Bonds15

About N,N'-bis[3-(ethylamino)propyl]butane-1,4-diamine

N,N'-bis[3-(ethylamino)propyl]butane-1,4-diamine (PubChem CID 4283) has the molecular formula C14H34N4 and a molecular weight of 258.45 g/mol. Its IUPAC name is N,N'-bis[3-(ethylamino)propyl]butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-bis[3-(ethylamino)propyl]butane-1,4-diamine
PubChem CID4283
Molecular FormulaC14H34N4
Molecular Weight258.45 g/mol
Exact Mass258.28
IUPAC NameN,N'-bis[3-(ethylamino)propyl]butane-1,4-diamine
SMILESCCNCCCNCCCCNCCCNCC
InChIInChI=1S/C14H34N4/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2/h15-18H,3-14H2,1-2H3
InChIKeyPGMIWVSHZMWSSI-UHFFFAOYSA-N
XLogP0.94
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Spermidine
CID 1102
Spermine
CID 1103
Dibutylamine
CID 8148
Norspermine
CID 78350
N1,N11-Diethylnorspermine
CID 4282
N1,N4-Bis(4-(ethylamino)butyl)-1,4-butanediamine
CID 60702
N'-(3-(Dimethylamino)propyl)-N,N-dimethyl-1,3-propanediamine
CID 81207
N1-(4-Aminobutyl)-1,4-butanediamine
CID 368
Dimethyldipropylenetriamine
CID 82728
Npc322806
CID 6992097
3-(Dibutylamino)propylamine
CID 1626
N-Propyl-1,3-propanediamine
CID 90250

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-(ethylamino)propyl]butane-1,4-diamine?
The IUPAC name of N,N'-bis[3-(ethylamino)propyl]butane-1,4-diamine (CID 4283) is N,N'-bis[3-(ethylamino)propyl]butane-1,4-diamine.
What is the SMILES notation for N,N'-bis[3-(ethylamino)propyl]butane-1,4-diamine?
The canonical SMILES for N,N'-bis[3-(ethylamino)propyl]butane-1,4-diamine is CCNCCCNCCCCNCCCNCC.
What is the InChIKey of N,N'-bis[3-(ethylamino)propyl]butane-1,4-diamine?
The InChIKey is PGMIWVSHZMWSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34N4/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2/h15-18H,3-14H2,1-2H3.
What are the key properties of N,N'-bis[3-(ethylamino)propyl]butane-1,4-diamine?
N,N'-bis[3-(ethylamino)propyl]butane-1,4-diamine has a molecular weight of 258.45 g/mol, XLogP of 0.94, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-(ethylamino)propyl]butane-1,4-diamine is sourced from PubChem (CID 4283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).