(1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine

C11H21N3 — CID 104942866

IUPAC(1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine
SMILESCCCCC(C)n1cncc1[C@H](C)N
InChIInChI=1S/C11H21N3/c1-4-5-6-9(2)14-8-13-7-11(14)10(3)12/h7-10H,4-6,12H2,1-3H3/t9?,10-/m0/s1
InChIKeyWVCXFNDPKSDVCQ-AXDSSHIGSA-N
MW195.31 g/mol
LogP2.65
Rot. Bonds5

About (1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine

(1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine (PubChem CID 104942866) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine
PubChem CID104942866
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine
SMILESCCCCC(C)n1cncc1[C@H](C)N
InChIInChI=1S/C11H21N3/c1-4-5-6-9(2)14-8-13-7-11(14)10(3)12/h7-10H,4-6,12H2,1-3H3/t9?,10-/m0/s1
InChIKeyWVCXFNDPKSDVCQ-AXDSSHIGSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol
CID 114705562
1-(3-octan-4-ylimidazol-4-yl)ethanamine
CID 106022203
2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine
CID 102969584
1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethanamine
CID 114706503
1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine
CID 114702976
1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
1-[3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]ethanamine
CID 114705428
N-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine
CID 66149295
1-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114707825
(1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine
CID 104943181
1-hexan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705557
1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine
CID 114707390

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine?
The IUPAC name of (1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine (CID 104942866) is (1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine.
What is the SMILES notation for (1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine?
The canonical SMILES for (1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine is CCCCC(C)n1cncc1[C@H](C)N.
What is the InChIKey of (1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine?
The InChIKey is WVCXFNDPKSDVCQ-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-5-6-9(2)14-8-13-7-11(14)10(3)12/h7-10H,4-6,12H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of (1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine?
(1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine has a molecular weight of 195.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine is sourced from PubChem (CID 104942866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).