(1S)-1-[3-(3,5-dimethyl-1-adamantyl)imidazol-4-yl]ethanamine

C17H27N3 — CID 104943385

IUPAC(1S)-1-[3-(3,5-dimethyl-1-adamantyl)imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cncn1C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C17H27N3/c1-12(18)14-7-19-11-20(14)17-6-13-4-15(2,9-17)8-16(3,5-13)10-17/h7,11-13H,4-6,8-10,18H2,1-3H3/t12-,13?,15?,16?,17?/m0/s1
InChIKeyHKWKBCQHTMHYME-FXSPDVNBSA-N
MW273.42 g/mol
LogP3.61
Rot. Bonds2

About (1S)-1-[3-(3,5-dimethyl-1-adamantyl)imidazol-4-yl]ethanamine

(1S)-1-[3-(3,5-dimethyl-1-adamantyl)imidazol-4-yl]ethanamine (PubChem CID 104943385) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is (1S)-1-[3-(3,5-dimethyl-1-adamantyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(3,5-dimethyl-1-adamantyl)imidazol-4-yl]ethanamine
PubChem CID104943385
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name(1S)-1-[3-(3,5-dimethyl-1-adamantyl)imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cncn1C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C17H27N3/c1-12(18)14-7-19-11-20(14)17-6-13-4-15(2,9-17)8-16(3,5-13)10-17/h7,11-13H,4-6,8-10,18H2,1-3H3/t12-,13?,15?,16?,17?/m0/s1
InChIKeyHKWKBCQHTMHYME-FXSPDVNBSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azetidin-3-yl)-1-(3,5-dimethyl-1-adamantyl)imidazole
CID 114721186
4-[(3S,5S)-3,5-dimethyl-1-adamantyl]-1,2,4-triazole
CID 98129210
(1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanamine
CID 106212137
(1R)-1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethanamine
CID 104943263
(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
4-[3-(1-adamantyl)imidazol-4-yl]piperidine
CID 114702688
(1R)-1-[3-(3-methylcyclobutyl)imidazol-4-yl]ethanamine
CID 104943894
(1S)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethanamine
CID 104943749
1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine
CID 114707390
3-methyl-1-[3-(1-methylcyclobutyl)imidazol-4-yl]butan-1-amine
CID 114707394
1-[3-(1,1-dioxothietan-3-yl)imidazol-4-yl]ethanamine
CID 130921357
(1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 104942425

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(3,5-dimethyl-1-adamantyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[3-(3,5-dimethyl-1-adamantyl)imidazol-4-yl]ethanamine (CID 104943385) is (1S)-1-[3-(3,5-dimethyl-1-adamantyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(3,5-dimethyl-1-adamantyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-(3,5-dimethyl-1-adamantyl)imidazol-4-yl]ethanamine is C[C@H](N)c1cncn1C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of (1S)-1-[3-(3,5-dimethyl-1-adamantyl)imidazol-4-yl]ethanamine?
The InChIKey is HKWKBCQHTMHYME-FXSPDVNBSA-N. The full InChI is InChI=1S/C17H27N3/c1-12(18)14-7-19-11-20(14)17-6-13-4-15(2,9-17)8-16(3,5-13)10-17/h7,11-13H,4-6,8-10,18H2,1-3H3/t12-,13?,15?,16?,17?/m0/s1.
What are the key properties of (1S)-1-[3-(3,5-dimethyl-1-adamantyl)imidazol-4-yl]ethanamine?
(1S)-1-[3-(3,5-dimethyl-1-adamantyl)imidazol-4-yl]ethanamine has a molecular weight of 273.42 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(3,5-dimethyl-1-adamantyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104943385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).