(1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine

C12H23N3 — CID 104942872

IUPAC(1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine
SMILESCCCC(CC)n1cncc1[C@H](N)CC
InChIInChI=1S/C12H23N3/c1-4-7-10(5-2)15-9-14-8-12(15)11(13)6-3/h8-11H,4-7,13H2,1-3H3/t10?,11-/m1/s1
InChIKeySSUFBOZYUJWOSA-RRKGBCIJSA-N
MW209.34 g/mol
LogP3.04
Rot. Bonds6

About (1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine

(1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine (PubChem CID 104942872) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine
PubChem CID104942872
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine
SMILESCCCC(CC)n1cncc1[C@H](N)CC
InChIInChI=1S/C12H23N3/c1-4-7-10(5-2)15-9-14-8-12(15)11(13)6-3/h8-11H,4-7,13H2,1-3H3/t10?,11-/m1/s1
InChIKeySSUFBOZYUJWOSA-RRKGBCIJSA-N
XLogP3.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]propan-1-amine
CID 104943185
1-(3-octan-4-ylimidazol-4-yl)ethanamine
CID 106022203
2-(3-hexan-3-ylimidazol-4-yl)propan-2-amine
CID 114705574
(1R)-1-(3-but-3-en-2-ylimidazol-4-yl)propan-1-amine
CID 104943762
(1R)-1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]propan-1-amine
CID 104944006
(1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine
CID 104942473
(1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine
CID 104942416
(1R)-1-[3-(1-piperidin-1-ylpropan-2-yl)imidazol-4-yl]propan-1-amine
CID 104942805
5-(azetidin-3-yl)-1-hexan-3-ylimidazole
CID 114719856
2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol
CID 114705562
(1R)-1-[3-(3-methylsulfanylpropyl)imidazol-4-yl]propan-1-amine
CID 104943152
(1R)-1-[3-[1-(furan-2-yl)propan-2-yl]imidazol-4-yl]propan-1-amine
CID 104942476

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine?
The IUPAC name of (1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine (CID 104942872) is (1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine.
What is the SMILES notation for (1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine?
The canonical SMILES for (1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine is CCCC(CC)n1cncc1[C@H](N)CC.
What is the InChIKey of (1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine?
The InChIKey is SSUFBOZYUJWOSA-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-7-10(5-2)15-9-14-8-12(15)11(13)6-3/h8-11H,4-7,13H2,1-3H3/t10?,11-/m1/s1.
What are the key properties of (1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine?
(1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine is sourced from PubChem (CID 104942872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).