N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine

C13H36N6 — CID 87964762

IUPACN'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
SMILESNCCCCNCCCN.NCCCNCCCN
InChIInChI=1S/C7H19N3.C6H17N3/c8-4-1-2-6-10-7-3-5-9;7-3-1-5-9-6-2-4-8/h10H,1-9H2;9H,1-8H2
InChIKeyDFPBXDCUSUBONU-UHFFFAOYSA-N
MW276.47 g/mol
LogP-1.06
Rot. Bonds13

About N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine

N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine (PubChem CID 87964762) has the molecular formula C13H36N6 and a molecular weight of 276.47 g/mol. Its IUPAC name is N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
PubChem CID87964762
Molecular FormulaC13H36N6
Molecular Weight276.47 g/mol
Exact Mass276.30
IUPAC NameN'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
SMILESNCCCCNCCCN.NCCCNCCCN
InChIInChI=1S/C7H19N3.C6H17N3/c8-4-1-2-6-10-7-3-5-9;7-3-1-5-9-6-2-4-8/h10H,1-9H2;9H,1-8H2
InChIKeyDFPBXDCUSUBONU-UHFFFAOYSA-N
XLogP-1.06
TPSA128.14 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 5-1.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid
CID 157082496
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-[(4-aminobutylamino)methyl]butane-1,4-diamine
CID 166675657
4-(3-aminopropylamino)butan-1-ol
CID 10725491
N-(3-aminopropyl)-N'-chlorobutane-1,4-diamine
CID 141005040

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine?
The IUPAC name of N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine (CID 87964762) is N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine is NCCCCNCCCN.NCCCNCCCN.
What is the InChIKey of N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine?
The InChIKey is DFPBXDCUSUBONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3.C6H17N3/c8-4-1-2-6-10-7-3-5-9;7-3-1-5-9-6-2-4-8/h10H,1-9H2;9H,1-8H2.
What are the key properties of N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine?
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine has a molecular weight of 276.47 g/mol, XLogP of -1.06, 13 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine is sourced from PubChem (CID 87964762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).