(1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethanamine

C11H17F2N3 — CID 130469584

IUPAC(1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cn(C2CCC(F)(F)CC2)cn1
InChIInChI=1S/C11H17F2N3/c1-8(14)10-6-16(7-15-10)9-2-4-11(12,13)5-3-9/h6-9H,2-5,14H2,1H3/t8-/m0/s1
InChIKeyITGGMTOTZKZPFF-QMMMGPOBSA-N
MW229.27 g/mol
LogP2.65
Rot. Bonds2

About (1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethanamine

(1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethanamine (PubChem CID 130469584) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is (1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethanamine
PubChem CID130469584
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name(1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cn(C2CCC(F)(F)CC2)cn1
InChIInChI=1S/C11H17F2N3/c1-8(14)10-6-16(7-15-10)9-2-4-11(12,13)5-3-9/h6-9H,2-5,14H2,1H3/t8-/m0/s1
InChIKeyITGGMTOTZKZPFF-QMMMGPOBSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methylhistamine
CID 3614
3-Methylhistamine
CID 69520
N-ethylhistamine
CID 44292270
2-(1-Isopropyl-1H-imidazol-4-yl)ethanamine
CID 585835
N(tele)-methylhistaminium
CID 25245502
4-(2-(Cyclohexylamino)ethyl)-1H-imidazole
CID 12647300
2-(1-Isopropyl-1H-imidazol-5-yl)ethanamine
CID 18722276
2-(1-Prop-2-enylimidazol-4-yl)ethanamine
CID 44292444
1-(1-methyl-1H-imidazol-5-yl)ethan-1-amine
CID 54236205
1-(1-methyl-1H-imidazol-5-yl)propan-2-amine
CID 55212033
1-(1-methyl-1H-imidazol-4-yl)ethan-1-amine dihydrochloride
CID 138987836
N-[2-(1H-imidazol-5-yl)ethyl]heptan-2-amine
CID 12311972

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethanamine (CID 130469584) is (1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethanamine is C[C@H](N)c1cn(C2CCC(F)(F)CC2)cn1.
What is the InChIKey of (1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethanamine?
The InChIKey is ITGGMTOTZKZPFF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-8(14)10-6-16(7-15-10)9-2-4-11(12,13)5-3-9/h6-9H,2-5,14H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethanamine?
(1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethanamine has a molecular weight of 229.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 130469584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).