N'-(3-aminopropyl)propane-1,3-diamine

C6H17N3 — CID 5942

IUPACN'-(3-aminopropyl)propane-1,3-diamine
SMILESNCCCNCCCN
InChIInChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2
InChIKeyOTBHHUPVCYLGQO-UHFFFAOYSA-N
MW131.22 g/mol
LogP-0.73
Rot. Bonds6

About N'-(3-aminopropyl)propane-1,3-diamine

N'-(3-aminopropyl)propane-1,3-diamine (PubChem CID 5942) has the molecular formula C6H17N3 and a molecular weight of 131.22 g/mol. Its IUPAC name is N'-(3-aminopropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-aminopropyl)propane-1,3-diamine
PubChem CID5942
Molecular FormulaC6H17N3
Molecular Weight131.22 g/mol
Exact Mass131.14
IUPAC NameN'-(3-aminopropyl)propane-1,3-diamine
SMILESNCCCNCCCN
InChIInChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2
InChIKeyOTBHHUPVCYLGQO-UHFFFAOYSA-N
XLogP-0.73
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 5-0.73
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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Related Compounds

Spermidine
CID 1102
Spermine
CID 1103
Norspermine
CID 78350
N,N'-bis(3-aminopropyl)ethylenediamine
CID 25378
Spermidine trihydrochloride
CID 9539
N1-(4-Aminobutyl)-1,4-butanediamine
CID 368
N,N-Diethyl-1,3-propanediamine
CID 61011
N1,N11-Diethylnorspermine
CID 4282
N'-(3-(Dimethylamino)propyl)-N,N-dimethyl-1,3-propanediamine
CID 81207
N,N'-Bis(2-aminoethyl)-1,3-propanediamine
CID 78479
N-Methyl-1,3-propanediamine
CID 80511
N,N-bis(3-aminopropyl)methylamine
CID 7777

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)propane-1,3-diamine?
The IUPAC name of N'-(3-aminopropyl)propane-1,3-diamine (CID 5942) is N'-(3-aminopropyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-aminopropyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-aminopropyl)propane-1,3-diamine is NCCCNCCCN.
What is the InChIKey of N'-(3-aminopropyl)propane-1,3-diamine?
The InChIKey is OTBHHUPVCYLGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2.
What are the key properties of N'-(3-aminopropyl)propane-1,3-diamine?
N'-(3-aminopropyl)propane-1,3-diamine has a molecular weight of 131.22 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)propane-1,3-diamine is sourced from PubChem (CID 5942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).