2-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine

C11H23N5 — CID 54364348

IUPAC2-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine
SMILESNC1CN=C(NCCCN2CCCCC2)N1
InChIInChI=1S/C11H23N5/c12-10-9-14-11(15-10)13-5-4-8-16-6-2-1-3-7-16/h10H,1-9,12H2,(H2,13,14,15)
InChIKeyUOSSEDKYIDSNHP-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.30
Rot. Bonds4

About 2-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine

2-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine (PubChem CID 54364348) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine
PubChem CID54364348
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC Name2-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine
SMILESNC1CN=C(NCCCN2CCCCC2)N1
InChIInChI=1S/C11H23N5/c12-10-9-14-11(15-10)13-5-4-8-16-6-2-1-3-7-16/h10H,1-9,12H2,(H2,13,14,15)
InChIKeyUOSSEDKYIDSNHP-UHFFFAOYSA-N
XLogP-0.30
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine?
The IUPAC name of 2-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine (CID 54364348) is 2-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine.
What is the SMILES notation for 2-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine?
The canonical SMILES for 2-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine is NC1CN=C(NCCCN2CCCCC2)N1.
What is the InChIKey of 2-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine?
The InChIKey is UOSSEDKYIDSNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c12-10-9-14-11(15-10)13-5-4-8-16-6-2-1-3-7-16/h10H,1-9,12H2,(H2,13,14,15).
What are the key properties of 2-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine?
2-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine has a molecular weight of 225.34 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine is sourced from PubChem (CID 54364348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).