N'-[2-[amino(ethyl)amino]ethyl]-N'-(3-aminopropyl)propane-1,3-diamine

C10H27N5 — CID 88793333

IUPACN'-[2-[amino(ethyl)amino]ethyl]-N'-(3-aminopropyl)propane-1,3-diamine
SMILESCCN(N)CCN(CCCN)CCCN
InChIInChI=1S/C10H27N5/c1-2-15(13)10-9-14(7-3-5-11)8-4-6-12/h2-13H2,1H3
InChIKeyUOSVSFIGDQFZSZ-UHFFFAOYSA-N
MW217.36 g/mol
LogP-0.82
Rot. Bonds10

About N'-[2-[amino(ethyl)amino]ethyl]-N'-(3-aminopropyl)propane-1,3-diamine

N'-[2-[amino(ethyl)amino]ethyl]-N'-(3-aminopropyl)propane-1,3-diamine (PubChem CID 88793333) has the molecular formula C10H27N5 and a molecular weight of 217.36 g/mol. Its IUPAC name is N'-[2-[amino(ethyl)amino]ethyl]-N'-(3-aminopropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-[amino(ethyl)amino]ethyl]-N'-(3-aminopropyl)propane-1,3-diamine
PubChem CID88793333
Molecular FormulaC10H27N5
Molecular Weight217.36 g/mol
Exact Mass217.23
IUPAC NameN'-[2-[amino(ethyl)amino]ethyl]-N'-(3-aminopropyl)propane-1,3-diamine
SMILESCCN(N)CCN(CCCN)CCCN
InChIInChI=1S/C10H27N5/c1-2-15(13)10-9-14(7-3-5-11)8-4-6-12/h2-13H2,1H3
InChIKeyUOSVSFIGDQFZSZ-UHFFFAOYSA-N
XLogP-0.82
TPSA84.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
5-[amino(ethyl)amino]pentan-1-amine
CID 20669758
N',N'-dibutylpropane-1,3-diamine;ethane
CID 170746351
N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine
CID 86127606
3-[amino(ethyl)amino]-N,N-diethylpropan-1-amine
CID 102998730
N'-(2-aminoethyl)-N'-ethylpropane-1,3-diamine
CID 55289486
N'-butyl-N'-ethylpropane-1,3-diamine
CID 16768199
N'-ethyl-N'-propylpropane-1,3-diamine
CID 43137206
N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine
CID 159685890
N',N'-diheptylpropane-1,3-diamine
CID 22251174
N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine
CID 87383613
N,N-bis(3-aminopropyl)-N'-[3-[bis(3-aminopropyl)amino]propyl]-N'-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]butane-1,4-diamine
CID 118403322

Frequently Asked Questions

What is the IUPAC name of N'-[2-[amino(ethyl)amino]ethyl]-N'-(3-aminopropyl)propane-1,3-diamine?
The IUPAC name of N'-[2-[amino(ethyl)amino]ethyl]-N'-(3-aminopropyl)propane-1,3-diamine (CID 88793333) is N'-[2-[amino(ethyl)amino]ethyl]-N'-(3-aminopropyl)propane-1,3-diamine.
What is the SMILES notation for N'-[2-[amino(ethyl)amino]ethyl]-N'-(3-aminopropyl)propane-1,3-diamine?
The canonical SMILES for N'-[2-[amino(ethyl)amino]ethyl]-N'-(3-aminopropyl)propane-1,3-diamine is CCN(N)CCN(CCCN)CCCN.
What is the InChIKey of N'-[2-[amino(ethyl)amino]ethyl]-N'-(3-aminopropyl)propane-1,3-diamine?
The InChIKey is UOSVSFIGDQFZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H27N5/c1-2-15(13)10-9-14(7-3-5-11)8-4-6-12/h2-13H2,1H3.
What are the key properties of N'-[2-[amino(ethyl)amino]ethyl]-N'-(3-aminopropyl)propane-1,3-diamine?
N'-[2-[amino(ethyl)amino]ethyl]-N'-(3-aminopropyl)propane-1,3-diamine has a molecular weight of 217.36 g/mol, XLogP of -0.82, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[amino(ethyl)amino]ethyl]-N'-(3-aminopropyl)propane-1,3-diamine is sourced from PubChem (CID 88793333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).