N',N'-diaminopentane-1,5-diamine

C5H16N4 — CID 54100618

IUPACN',N'-diaminopentane-1,5-diamine
SMILESNCCCCCN(N)N
InChIInChI=1S/C5H16N4/c6-4-2-1-3-5-9(7)8/h1-8H2
InChIKeyNAGNSLJRYVAHDH-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.84
Rot. Bonds5

About N',N'-diaminopentane-1,5-diamine

N',N'-diaminopentane-1,5-diamine (PubChem CID 54100618) has the molecular formula C5H16N4 and a molecular weight of 132.21 g/mol. Its IUPAC name is N',N'-diaminopentane-1,5-diamine.

Molecular Properties

Compound NameN',N'-diaminopentane-1,5-diamine
PubChem CID54100618
Molecular FormulaC5H16N4
Molecular Weight132.21 g/mol
Exact Mass132.14
IUPAC NameN',N'-diaminopentane-1,5-diamine
SMILESNCCCCCN(N)N
InChIInChI=1S/C5H16N4/c6-4-2-1-3-5-9(7)8/h1-8H2
InChIKeyNAGNSLJRYVAHDH-UHFFFAOYSA-N
XLogP-0.84
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N',N'-bis(6-aminohexyl)hexane-1,6-diamine
CID 21260857
azane;tetrakis(hexane-1,6-diamine);tris(platinum(2+))
CID 11693801
azane;butane-1,4-diamine
CID 87378889
octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
5-[amino(ethyl)amino]pentan-1-amine
CID 20669758
N',N'-dimethylicosane-1,20-diamine
CID 54351766
N',N'-dimethylheptane-1,7-diamine
CID 3822076
N',N'-dimethylpentane-1,5-diamine
CID 3465925
azane;hexane-1,6-diamine;bis(platinum(2+));tetrachloride
CID 10372551
N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine
CID 87383613

Frequently Asked Questions

What is the IUPAC name of N',N'-diaminopentane-1,5-diamine?
The IUPAC name of N',N'-diaminopentane-1,5-diamine (CID 54100618) is N',N'-diaminopentane-1,5-diamine.
What is the SMILES notation for N',N'-diaminopentane-1,5-diamine?
The canonical SMILES for N',N'-diaminopentane-1,5-diamine is NCCCCCN(N)N.
What is the InChIKey of N',N'-diaminopentane-1,5-diamine?
The InChIKey is NAGNSLJRYVAHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H16N4/c6-4-2-1-3-5-9(7)8/h1-8H2.
What are the key properties of N',N'-diaminopentane-1,5-diamine?
N',N'-diaminopentane-1,5-diamine has a molecular weight of 132.21 g/mol, XLogP of -0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diaminopentane-1,5-diamine is sourced from PubChem (CID 54100618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).