N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine

C17H44N6 — CID 126572860

IUPACN'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
SMILESNCCCCCCNCCCCCCN.NCCCNCCN
InChIInChI=1S/C12H29N3.C5H15N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14;6-2-1-4-8-5-3-7/h15H,1-14H2;8H,1-7H2
InChIKeyCSGYOIUYRWGLHO-UHFFFAOYSA-N
MW332.58 g/mol
LogP0.50
Rot. Bonds17

About N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine

N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine (PubChem CID 126572860) has the molecular formula C17H44N6 and a molecular weight of 332.58 g/mol. Its IUPAC name is N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
PubChem CID126572860
Molecular FormulaC17H44N6
Molecular Weight332.58 g/mol
Exact Mass332.36
IUPAC NameN'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
SMILESNCCCCCCNCCCCCCN.NCCCNCCN
InChIInChI=1S/C12H29N3.C5H15N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14;6-2-1-4-8-5-3-7/h15H,1-14H2;8H,1-7H2
InChIKeyCSGYOIUYRWGLHO-UHFFFAOYSA-N
XLogP0.50
TPSA128.14 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.58
LogP ≤ 50.50
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'-(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-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)octane-1,8-diamine;butane-1,4-diamine;ethanamine;ethane-1,2-diamine;hexane-1,6-diamine;octane-1,8-diamine;bis(pentane-1,5-diamine);propane-1,3-diamine
CID 165066014
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide
CID 162339984
N,N'-bis(3-aminopropyl)butane-1,4-diamine;butane-1,4-diamine;methane;N'-methylethane-1,2-diamine
CID 161280061
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine?
The IUPAC name of N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine (CID 126572860) is N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine.
What is the SMILES notation for N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine?
The canonical SMILES for N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine is NCCCCCCNCCCCCCN.NCCCNCCN.
What is the InChIKey of N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine?
The InChIKey is CSGYOIUYRWGLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3.C5H15N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14;6-2-1-4-8-5-3-7/h15H,1-14H2;8H,1-7H2.
What are the key properties of N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine?
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine has a molecular weight of 332.58 g/mol, XLogP of 0.50, 17 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine is sourced from PubChem (CID 126572860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).