N-[2-[amino(propyl)amino]ethyl]propan-1-amine

C8H21N3 — CID 143220507

IUPACN-[2-[amino(propyl)amino]ethyl]propan-1-amine
SMILESCCCNCCN(N)CCC
InChIInChI=1S/C8H21N3/c1-3-5-10-6-8-11(9)7-4-2/h10H,3-9H2,1-2H3
InChIKeyIJJLYTINOLWHPR-UHFFFAOYSA-N
MW159.28 g/mol
LogP0.57
Rot. Bonds7

About N-[2-[amino(propyl)amino]ethyl]propan-1-amine

N-[2-[amino(propyl)amino]ethyl]propan-1-amine (PubChem CID 143220507) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is N-[2-[amino(propyl)amino]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[amino(propyl)amino]ethyl]propan-1-amine
PubChem CID143220507
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC NameN-[2-[amino(propyl)amino]ethyl]propan-1-amine
SMILESCCCNCCN(N)CCC
InChIInChI=1S/C8H21N3/c1-3-5-10-6-8-11(9)7-4-2/h10H,3-9H2,1-2H3
InChIKeyIJJLYTINOLWHPR-UHFFFAOYSA-N
XLogP0.57
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[amino-[2-[amino(propyl)amino]ethyl]amino]ethyl]propan-1-amine;propane
CID 143220499
N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine
CID 122700758
azane;N-propylpropan-1-amine;trihydrochloride
CID 173212322
N',N'-dimethyl-N-propylethane-1,2-diamine;ethane
CID 134080811
azane;N'-propylethane-1,2-diamine
CID 87476258
N-[2-[amino(propyl)amino]ethyl]oxetan-3-amine
CID 163795998
N-propyl-N-[2-(propylamino)ethyl]acetamide
CID 118586484
N'-methyl-N'-[2-[propyl-[2-(propylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 169021905
N'-butyl-N'-ethyl-N-propylethane-1,2-diamine
CID 61386883
N'-[2-[2-[methyl(propyl)amino]ethylamino]ethyl]ethane-1,2-diamine
CID 154558458
N',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine
CID 20586475
N-methyl-N-[2-(propylamino)ethyl]acetamide
CID 21337705

Frequently Asked Questions

What is the IUPAC name of N-[2-[amino(propyl)amino]ethyl]propan-1-amine?
The IUPAC name of N-[2-[amino(propyl)amino]ethyl]propan-1-amine (CID 143220507) is N-[2-[amino(propyl)amino]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[amino(propyl)amino]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[amino(propyl)amino]ethyl]propan-1-amine is CCCNCCN(N)CCC.
What is the InChIKey of N-[2-[amino(propyl)amino]ethyl]propan-1-amine?
The InChIKey is IJJLYTINOLWHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3/c1-3-5-10-6-8-11(9)7-4-2/h10H,3-9H2,1-2H3.
What are the key properties of N-[2-[amino(propyl)amino]ethyl]propan-1-amine?
N-[2-[amino(propyl)amino]ethyl]propan-1-amine has a molecular weight of 159.28 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[amino(propyl)amino]ethyl]propan-1-amine is sourced from PubChem (CID 143220507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).