N'-[2-(propylamino)ethyl]ethane-1,2-diamine

C7H19N3 — CID 4684814

IUPACN'-[2-(propylamino)ethyl]ethane-1,2-diamine
SMILESCCCNCCNCCN
InChIInChI=1S/C7H19N3/c1-2-4-9-6-7-10-5-3-8/h9-10H,2-8H2,1H3
InChIKeyIPMWIVQWGGRTLD-UHFFFAOYSA-N
MW145.25 g/mol
LogP-0.47
Rot. Bonds7

About N'-[2-(propylamino)ethyl]ethane-1,2-diamine

N'-[2-(propylamino)ethyl]ethane-1,2-diamine (PubChem CID 4684814) has the molecular formula C7H19N3 and a molecular weight of 145.25 g/mol. Its IUPAC name is N'-[2-(propylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(propylamino)ethyl]ethane-1,2-diamine
PubChem CID4684814
Molecular FormulaC7H19N3
Molecular Weight145.25 g/mol
Exact Mass145.16
IUPAC NameN'-[2-(propylamino)ethyl]ethane-1,2-diamine
SMILESCCCNCCNCCN
InChIInChI=1S/C7H19N3/c1-2-4-9-6-7-10-5-3-8/h9-10H,2-8H2,1H3
InChIKeyIPMWIVQWGGRTLD-UHFFFAOYSA-N
XLogP-0.47
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(propylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(propylamino)ethyl]ethane-1,2-diamine (CID 4684814) is N'-[2-(propylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(propylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(propylamino)ethyl]ethane-1,2-diamine is CCCNCCNCCN.
What is the InChIKey of N'-[2-(propylamino)ethyl]ethane-1,2-diamine?
The InChIKey is IPMWIVQWGGRTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3/c1-2-4-9-6-7-10-5-3-8/h9-10H,2-8H2,1H3.
What are the key properties of N'-[2-(propylamino)ethyl]ethane-1,2-diamine?
N'-[2-(propylamino)ethyl]ethane-1,2-diamine has a molecular weight of 145.25 g/mol, XLogP of -0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(propylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 4684814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).