6-(1,2-dihydroimidazol-3-yl)-4-methylidenehexan-1-amine

C10H19N3 — CID 118037068

IUPAC6-(1,2-dihydroimidazol-3-yl)-4-methylidenehexan-1-amine
SMILESC=C(CCCN)CCN1C=CNC1
InChIInChI=1S/C10H19N3/c1-10(3-2-5-11)4-7-13-8-6-12-9-13/h6,8,12H,1-5,7,9,11H2
InChIKeyVTMKYAYMVQMYDB-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.01
Rot. Bonds6

About 6-(1,2-dihydroimidazol-3-yl)-4-methylidenehexan-1-amine

6-(1,2-dihydroimidazol-3-yl)-4-methylidenehexan-1-amine (PubChem CID 118037068) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 6-(1,2-dihydroimidazol-3-yl)-4-methylidenehexan-1-amine.

Molecular Properties

Compound Name6-(1,2-dihydroimidazol-3-yl)-4-methylidenehexan-1-amine
PubChem CID118037068
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name6-(1,2-dihydroimidazol-3-yl)-4-methylidenehexan-1-amine
SMILESC=C(CCCN)CCN1C=CNC1
InChIInChI=1S/C10H19N3/c1-10(3-2-5-11)4-7-13-8-6-12-9-13/h6,8,12H,1-5,7,9,11H2
InChIKeyVTMKYAYMVQMYDB-UHFFFAOYSA-N
XLogP1.01
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.01
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 6-(1,2-dihydroimidazol-3-yl)-4-methylidenehexan-1-amine?
The IUPAC name of 6-(1,2-dihydroimidazol-3-yl)-4-methylidenehexan-1-amine (CID 118037068) is 6-(1,2-dihydroimidazol-3-yl)-4-methylidenehexan-1-amine.
What is the SMILES notation for 6-(1,2-dihydroimidazol-3-yl)-4-methylidenehexan-1-amine?
The canonical SMILES for 6-(1,2-dihydroimidazol-3-yl)-4-methylidenehexan-1-amine is C=C(CCCN)CCN1C=CNC1.
What is the InChIKey of 6-(1,2-dihydroimidazol-3-yl)-4-methylidenehexan-1-amine?
The InChIKey is VTMKYAYMVQMYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-10(3-2-5-11)4-7-13-8-6-12-9-13/h6,8,12H,1-5,7,9,11H2.
What are the key properties of 6-(1,2-dihydroimidazol-3-yl)-4-methylidenehexan-1-amine?
6-(1,2-dihydroimidazol-3-yl)-4-methylidenehexan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-dihydroimidazol-3-yl)-4-methylidenehexan-1-amine is sourced from PubChem (CID 118037068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).