1-hexan-3-ylimidazol-2-amine

C9H17N3 — CID 106569829

IUPAC1-hexan-3-ylimidazol-2-amine
SMILESCCCC(CC)n1ccnc1N
InChIInChI=1S/C9H17N3/c1-3-5-8(4-2)12-7-6-11-9(12)10/h6-8H,3-5H2,1-2H3,(H2,10,11)
InChIKeyYLJMNYVXXJPAGF-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.22
Rot. Bonds4

About 1-hexan-3-ylimidazol-2-amine

1-hexan-3-ylimidazol-2-amine (PubChem CID 106569829) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-hexan-3-ylimidazol-2-amine.

Molecular Properties

Compound Name1-hexan-3-ylimidazol-2-amine
PubChem CID106569829
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-hexan-3-ylimidazol-2-amine
SMILESCCCC(CC)n1ccnc1N
InChIInChI=1S/C9H17N3/c1-3-5-8(4-2)12-7-6-11-9(12)10/h6-8H,3-5H2,1-2H3,(H2,10,11)
InChIKeyYLJMNYVXXJPAGF-UHFFFAOYSA-N
XLogP2.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-heptan-4-ylimidazole
CID 91216339
1-[1-(dimethylamino)-4-methylpentan-2-yl]imidazol-2-amine
CID 106564771
N-methyl-1-pentan-3-ylimidazol-2-amine
CID 106555013
1-(3,3-dimethylbutan-2-yl)imidazol-2-amine
CID 106580832
2-(2-methylimidazol-1-yl)-N-propylbutan-1-amine
CID 62446855
N-ethyl-2-(2-methylimidazol-1-yl)pentan-1-amine
CID 83046025
1-(1-methylsulfinylpropan-2-yl)imidazol-2-amine
CID 106580454
(1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine
CID 104942872
1-pentan-2-yl-2-propan-2-ylimidazole
CID 122705417
2-(2-aminoimidazol-1-yl)-3,3-diethoxypropanenitrile
CID 135226355
2-(3-hexan-3-ylimidazol-4-yl)propan-2-amine
CID 114705574
1-hexan-3-ylimidazole
CID 54145075

Frequently Asked Questions

What is the IUPAC name of 1-hexan-3-ylimidazol-2-amine?
The IUPAC name of 1-hexan-3-ylimidazol-2-amine (CID 106569829) is 1-hexan-3-ylimidazol-2-amine.
What is the SMILES notation for 1-hexan-3-ylimidazol-2-amine?
The canonical SMILES for 1-hexan-3-ylimidazol-2-amine is CCCC(CC)n1ccnc1N.
What is the InChIKey of 1-hexan-3-ylimidazol-2-amine?
The InChIKey is YLJMNYVXXJPAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-5-8(4-2)12-7-6-11-9(12)10/h6-8H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of 1-hexan-3-ylimidazol-2-amine?
1-hexan-3-ylimidazol-2-amine has a molecular weight of 167.26 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-3-ylimidazol-2-amine is sourced from PubChem (CID 106569829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).