1-hexan-3-yl-4,5-dihydroimidazol-2-amine

C9H19N3 — CID 57139646

IUPAC1-hexan-3-yl-4,5-dihydroimidazol-2-amine
SMILESCCCC(CC)N1CCN=C1N
InChIInChI=1S/C9H19N3/c1-3-5-8(4-2)12-7-6-11-9(12)10/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyRDUCSZVLSWRDBP-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.20
Rot. Bonds4

About 1-hexan-3-yl-4,5-dihydroimidazol-2-amine

1-hexan-3-yl-4,5-dihydroimidazol-2-amine (PubChem CID 57139646) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-hexan-3-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-hexan-3-yl-4,5-dihydroimidazol-2-amine
PubChem CID57139646
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1-hexan-3-yl-4,5-dihydroimidazol-2-amine
SMILESCCCC(CC)N1CCN=C1N
InChIInChI=1S/C9H19N3/c1-3-5-8(4-2)12-7-6-11-9(12)10/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyRDUCSZVLSWRDBP-UHFFFAOYSA-N
XLogP1.20
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hexan-3-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-hexan-3-yl-4,5-dihydroimidazol-2-amine (CID 57139646) is 1-hexan-3-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-hexan-3-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-hexan-3-yl-4,5-dihydroimidazol-2-amine is CCCC(CC)N1CCN=C1N.
What is the InChIKey of 1-hexan-3-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is RDUCSZVLSWRDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-3-5-8(4-2)12-7-6-11-9(12)10/h8H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of 1-hexan-3-yl-4,5-dihydroimidazol-2-amine?
1-hexan-3-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-3-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 57139646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).