N',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine

C10H26N4 — CID 20586475

IUPACN',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine
SMILESCCCNCCCN(CCN)CCN
InChIInChI=1S/C10H26N4/c1-2-6-13-7-3-8-14(9-4-11)10-5-12/h13H,2-12H2,1H3
InChIKeyRSGYVEBXDDJVBY-UHFFFAOYSA-N
MW202.35 g/mol
LogP-0.40
Rot. Bonds10

About N',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine

N',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine (PubChem CID 20586475) has the molecular formula C10H26N4 and a molecular weight of 202.35 g/mol. Its IUPAC name is N',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine
PubChem CID20586475
Molecular FormulaC10H26N4
Molecular Weight202.35 g/mol
Exact Mass202.22
IUPAC NameN',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine
SMILESCCCNCCCN(CCN)CCN
InChIInChI=1S/C10H26N4/c1-2-6-13-7-3-8-14(9-4-11)10-5-12/h13H,2-12H2,1H3
InChIKeyRSGYVEBXDDJVBY-UHFFFAOYSA-N
XLogP-0.40
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine
CID 20833349
N'-(3-aminopropyl)-N'-[3-(dodecylamino)propyl]propane-1,3-diamine
CID 164800746
butan-1-amine;N-butylbutan-1-amine;N,N-dibutylbutan-1-amine
CID 160890057
2-[propyl-[3-(propylamino)propyl]amino]ethanol
CID 61424800
N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine
CID 54322779
N'-(2-aminoethyl)ethane-1,2-diamine;N,N-dioctyloctan-1-amine
CID 19864694
N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine
CID 61386892
N'-[2-[2-[2-aminoethyl(butyl)amino]ethyl-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 159788489
N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine
CID 122700758
azane;N'-propylethane-1,2-diamine
CID 87476258
N'-[2-[2-(2-aminoethylamino)ethyl-[3-[3-[2-aminoethyl(3-aminopropyl)amino]propylamino]propyl]amino]ethyl]-N'-[2-[bis(3-aminopropyl)amino]ethyl]heptane-1,7-diamine;N-ethylpentan-1-amine
CID 165036061
N'-[2-(dioctadecylamino)ethyl]ethane-1,2-diamine
CID 19593405

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine?
The IUPAC name of N',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine (CID 20586475) is N',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine.
What is the SMILES notation for N',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine?
The canonical SMILES for N',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine is CCCNCCCN(CCN)CCN.
What is the InChIKey of N',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine?
The InChIKey is RSGYVEBXDDJVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4/c1-2-6-13-7-3-8-14(9-4-11)10-5-12/h13H,2-12H2,1H3.
What are the key properties of N',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine?
N',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine has a molecular weight of 202.35 g/mol, XLogP of -0.40, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine is sourced from PubChem (CID 20586475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).