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

C11H27N3 — CID 20833349

IUPACN'-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine
SMILESCCCNCCCN(CC)CCCN
InChIInChI=1S/C11H27N3/c1-3-8-13-9-6-11-14(4-2)10-5-7-12/h13H,3-12H2,1-2H3
InChIKeySWVSBBFCZGTOSN-UHFFFAOYSA-N
MW201.36 g/mol
LogP1.05
Rot. Bonds10

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

N'-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine (PubChem CID 20833349) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is N'-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine
PubChem CID20833349
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC NameN'-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine
SMILESCCCNCCCN(CC)CCCN
InChIInChI=1S/C11H27N3/c1-3-8-13-9-6-11-14(4-2)10-5-7-12/h13H,3-12H2,1-2H3
InChIKeySWVSBBFCZGTOSN-UHFFFAOYSA-N
XLogP1.05
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine
CID 61386892
N',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine
CID 20586475
2-[ethyl-[3-(propylamino)propyl]amino]ethanol
CID 61387164
N'-(3-aminopropyl)-N'-[3-(dodecylamino)propyl]propane-1,3-diamine
CID 164800746
2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol
CID 143093735
N'-butyl-N'-ethylpropane-1,3-diamine
CID 16768199
N'-ethyl-N'-propylpropane-1,3-diamine
CID 43137206
N'-butyl-N'-ethyl-N-propylethane-1,2-diamine
CID 61386883
N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[3-[3-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]propyl-ethylamino]propyl]amino]propyl]amino]propyl]propane-1,3-diamine
CID 59097400
N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine
CID 86127606
N'-(2-aminoethyl)-N'-ethylpropane-1,3-diamine
CID 55289486
butan-1-amine;N-butylbutan-1-amine;N,N-dibutylbutan-1-amine
CID 160890057

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine (CID 20833349) is N'-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine is CCCNCCCN(CC)CCCN.
What is the InChIKey of N'-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine?
The InChIKey is SWVSBBFCZGTOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-3-8-13-9-6-11-14(4-2)10-5-7-12/h13H,3-12H2,1-2H3.
What are the key properties of N'-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine?
N'-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine has a molecular weight of 201.36 g/mol, XLogP of 1.05, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 20833349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).