N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine

C22H54N6 — CID 87880552

IUPACN'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
SMILESNCCCCCCNCCCCCCN.NCCCCCNCCCCCN
InChIInChI=1S/C12H29N3.C10H25N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14;11-7-3-1-5-9-13-10-6-2-4-8-12/h15H,1-14H2;13H,1-12H2
InChIKeyDDLINSBWKXBUAA-UHFFFAOYSA-N
MW402.72 g/mol
LogP2.45
Rot. Bonds22

About N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine

N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine (PubChem CID 87880552) has the molecular formula C22H54N6 and a molecular weight of 402.72 g/mol. Its IUPAC name is N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
PubChem CID87880552
Molecular FormulaC22H54N6
Molecular Weight402.72 g/mol
Exact Mass402.44
IUPAC NameN'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
SMILESNCCCCCCNCCCCCCN.NCCCCCNCCCCCN
InChIInChI=1S/C12H29N3.C10H25N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14;11-7-3-1-5-9-13-10-6-2-4-8-12/h15H,1-14H2;13H,1-12H2
InChIKeyDDLINSBWKXBUAA-UHFFFAOYSA-N
XLogP2.45
TPSA128.14 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.72
LogP ≤ 52.45
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)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
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'-dodecylheptane-1,7-diamine
CID 122537296
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
N'-pentyltridecane-1,13-diamine
CID 174397381
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352
N'-butyloctadecane-1,18-diamine
CID 19427141
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-tetradecylbutane-1,4-diamine;hydrochloride
CID 73211859

Frequently Asked Questions

What is the IUPAC name of N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine?
The IUPAC name of N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine (CID 87880552) is N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine.
What is the SMILES notation for N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine?
The canonical SMILES for N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine is NCCCCCCNCCCCCCN.NCCCCCNCCCCCN.
What is the InChIKey of N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine?
The InChIKey is DDLINSBWKXBUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3.C10H25N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14;11-7-3-1-5-9-13-10-6-2-4-8-12/h15H,1-14H2;13H,1-12H2.
What are the key properties of N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine?
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine has a molecular weight of 402.72 g/mol, XLogP of 2.45, 22 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine is sourced from PubChem (CID 87880552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).