1-N-(4,5-dihydro-1H-imidazol-2-yl)pentane-1,4-diamine

C8H18N4 — CID 134386603

IUPAC1-N-(4,5-dihydro-1H-imidazol-2-yl)pentane-1,4-diamine
SMILESCC(N)CCCNC1=NCCN1
InChIInChI=1S/C8H18N4/c1-7(9)3-2-4-10-8-11-5-6-12-8/h7H,2-6,9H2,1H3,(H2,10,11,12)
InChIKeyZKGSSJJUUCLALP-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.34
Rot. Bonds4

About 1-N-(4,5-dihydro-1H-imidazol-2-yl)pentane-1,4-diamine

1-N-(4,5-dihydro-1H-imidazol-2-yl)pentane-1,4-diamine (PubChem CID 134386603) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-N-(4,5-dihydro-1H-imidazol-2-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(4,5-dihydro-1H-imidazol-2-yl)pentane-1,4-diamine
PubChem CID134386603
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name1-N-(4,5-dihydro-1H-imidazol-2-yl)pentane-1,4-diamine
SMILESCC(N)CCCNC1=NCCN1
InChIInChI=1S/C8H18N4/c1-7(9)3-2-4-10-8-11-5-6-12-8/h7H,2-6,9H2,1H3,(H2,10,11,12)
InChIKeyZKGSSJJUUCLALP-UHFFFAOYSA-N
XLogP-0.34
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
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 1-N-(4,5-dihydro-1H-imidazol-2-yl)pentane-1,4-diamine?
The IUPAC name of 1-N-(4,5-dihydro-1H-imidazol-2-yl)pentane-1,4-diamine (CID 134386603) is 1-N-(4,5-dihydro-1H-imidazol-2-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-(4,5-dihydro-1H-imidazol-2-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N-(4,5-dihydro-1H-imidazol-2-yl)pentane-1,4-diamine is CC(N)CCCNC1=NCCN1.
What is the InChIKey of 1-N-(4,5-dihydro-1H-imidazol-2-yl)pentane-1,4-diamine?
The InChIKey is ZKGSSJJUUCLALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-7(9)3-2-4-10-8-11-5-6-12-8/h7H,2-6,9H2,1H3,(H2,10,11,12).
What are the key properties of 1-N-(4,5-dihydro-1H-imidazol-2-yl)pentane-1,4-diamine?
1-N-(4,5-dihydro-1H-imidazol-2-yl)pentane-1,4-diamine has a molecular weight of 170.26 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4,5-dihydro-1H-imidazol-2-yl)pentane-1,4-diamine is sourced from PubChem (CID 134386603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).