3-methylidene-5-piperazin-1-ylpentan-1-amine

C10H21N3 — CID 21296961

IUPAC3-methylidene-5-piperazin-1-ylpentan-1-amine
SMILESC=C(CCN)CCN1CCNCC1
InChIInChI=1S/C10H21N3/c1-10(2-4-11)3-7-13-8-5-12-6-9-13/h12H,1-9,11H2
InChIKeyIZJXQNHFMHJADT-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.19
Rot. Bonds5

About 3-methylidene-5-piperazin-1-ylpentan-1-amine

3-methylidene-5-piperazin-1-ylpentan-1-amine (PubChem CID 21296961) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 3-methylidene-5-piperazin-1-ylpentan-1-amine.

Molecular Properties

Compound Name3-methylidene-5-piperazin-1-ylpentan-1-amine
PubChem CID21296961
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name3-methylidene-5-piperazin-1-ylpentan-1-amine
SMILESC=C(CCN)CCN1CCNCC1
InChIInChI=1S/C10H21N3/c1-10(2-4-11)3-7-13-8-5-12-6-9-13/h12H,1-9,11H2
InChIKeyIZJXQNHFMHJADT-UHFFFAOYSA-N
XLogP0.19
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-5-piperazin-1-ylpentan-1-amine?
The IUPAC name of 3-methylidene-5-piperazin-1-ylpentan-1-amine (CID 21296961) is 3-methylidene-5-piperazin-1-ylpentan-1-amine.
What is the SMILES notation for 3-methylidene-5-piperazin-1-ylpentan-1-amine?
The canonical SMILES for 3-methylidene-5-piperazin-1-ylpentan-1-amine is C=C(CCN)CCN1CCNCC1.
What is the InChIKey of 3-methylidene-5-piperazin-1-ylpentan-1-amine?
The InChIKey is IZJXQNHFMHJADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-10(2-4-11)3-7-13-8-5-12-6-9-13/h12H,1-9,11H2.
What are the key properties of 3-methylidene-5-piperazin-1-ylpentan-1-amine?
3-methylidene-5-piperazin-1-ylpentan-1-amine has a molecular weight of 183.30 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-piperazin-1-ylpentan-1-amine is sourced from PubChem (CID 21296961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).