N,N'-bis(2-aminoethyl)pentane-1,5-diamine

C9H24N4 — CID 14647196

IUPACN,N'-bis(2-aminoethyl)pentane-1,5-diamine
SMILESNCCNCCCCCNCCN
InChIInChI=1S/C9H24N4/c10-4-8-12-6-2-1-3-7-13-9-5-11/h12-13H,1-11H2
InChIKeyVUSOLWZRHDFWBV-UHFFFAOYSA-N
MW188.32 g/mol
LogP-0.75
Rot. Bonds10

About N,N'-bis(2-aminoethyl)pentane-1,5-diamine

N,N'-bis(2-aminoethyl)pentane-1,5-diamine (PubChem CID 14647196) has the molecular formula C9H24N4 and a molecular weight of 188.32 g/mol. Its IUPAC name is N,N'-bis(2-aminoethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN,N'-bis(2-aminoethyl)pentane-1,5-diamine
PubChem CID14647196
Molecular FormulaC9H24N4
Molecular Weight188.32 g/mol
Exact Mass188.20
IUPAC NameN,N'-bis(2-aminoethyl)pentane-1,5-diamine
SMILESNCCNCCCCCNCCN
InChIInChI=1S/C9H24N4/c10-4-8-12-6-2-1-3-7-13-9-5-11/h12-13H,1-11H2
InChIKeyVUSOLWZRHDFWBV-UHFFFAOYSA-N
XLogP-0.75
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-aminoethyl)pentane-1,5-diamine?
The IUPAC name of N,N'-bis(2-aminoethyl)pentane-1,5-diamine (CID 14647196) is N,N'-bis(2-aminoethyl)pentane-1,5-diamine.
What is the SMILES notation for N,N'-bis(2-aminoethyl)pentane-1,5-diamine?
The canonical SMILES for N,N'-bis(2-aminoethyl)pentane-1,5-diamine is NCCNCCCCCNCCN.
What is the InChIKey of N,N'-bis(2-aminoethyl)pentane-1,5-diamine?
The InChIKey is VUSOLWZRHDFWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N4/c10-4-8-12-6-2-1-3-7-13-9-5-11/h12-13H,1-11H2.
What are the key properties of N,N'-bis(2-aminoethyl)pentane-1,5-diamine?
N,N'-bis(2-aminoethyl)pentane-1,5-diamine has a molecular weight of 188.32 g/mol, XLogP of -0.75, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-aminoethyl)pentane-1,5-diamine is sourced from PubChem (CID 14647196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).