1-(1H-imidazol-5-yl)-N-[(3-methyl-1-adamantyl)methyl]propan-2-amine

C18H29N3 — CID 123762788

IUPAC1-(1H-imidazol-5-yl)-N-[(3-methyl-1-adamantyl)methyl]propan-2-amine
SMILESCC(Cc1cnc[nH]1)NCC12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C18H29N3/c1-13(3-16-9-19-12-21-16)20-11-18-7-14-4-15(8-18)6-17(2,5-14)10-18/h9,12-15,20H,3-8,10-11H2,1-2H3,(H,19,21)
InChIKeyAUZMDHIFUOSRJI-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.54
Rot. Bonds5

About 1-(1H-imidazol-5-yl)-N-[(3-methyl-1-adamantyl)methyl]propan-2-amine

1-(1H-imidazol-5-yl)-N-[(3-methyl-1-adamantyl)methyl]propan-2-amine (PubChem CID 123762788) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-N-[(3-methyl-1-adamantyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-N-[(3-methyl-1-adamantyl)methyl]propan-2-amine
PubChem CID123762788
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-(1H-imidazol-5-yl)-N-[(3-methyl-1-adamantyl)methyl]propan-2-amine
SMILESCC(Cc1cnc[nH]1)NCC12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C18H29N3/c1-13(3-16-9-19-12-21-16)20-11-18-7-14-4-15(8-18)6-17(2,5-14)10-18/h9,12-15,20H,3-8,10-11H2,1-2H3,(H,19,21)
InChIKeyAUZMDHIFUOSRJI-UHFFFAOYSA-N
XLogP3.54
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethyl]azanium
CID 168720619
N-(1H-imidazol-5-ylmethyl)-1-(1-methylcyclopropyl)ethanamine
CID 63000739
5-(2,3-dimethylbutyl)-1H-imidazole
CID 149460105
(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
CID 53313193
3-amino-4-(1H-imidazol-5-yl)butan-2-ol
CID 123261764
N-(1H-imidazol-5-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358490
(3-methyl-1-adamantyl)methanethiol
CID 91806704
(2S)-2-N-(1-adamantylmethyl)propane-1,2-diamine
CID 104867855
N-[2-(1H-imidazol-5-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79539364
N-(1H-imidazol-5-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 55109451
N-[2-(1H-imidazol-5-yl)ethyl]butan-2-amine
CID 65232249
CID 59432002
CID 59432002

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-N-[(3-methyl-1-adamantyl)methyl]propan-2-amine?
The IUPAC name of 1-(1H-imidazol-5-yl)-N-[(3-methyl-1-adamantyl)methyl]propan-2-amine (CID 123762788) is 1-(1H-imidazol-5-yl)-N-[(3-methyl-1-adamantyl)methyl]propan-2-amine.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-N-[(3-methyl-1-adamantyl)methyl]propan-2-amine?
The canonical SMILES for 1-(1H-imidazol-5-yl)-N-[(3-methyl-1-adamantyl)methyl]propan-2-amine is CC(Cc1cnc[nH]1)NCC12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of 1-(1H-imidazol-5-yl)-N-[(3-methyl-1-adamantyl)methyl]propan-2-amine?
The InChIKey is AUZMDHIFUOSRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-13(3-16-9-19-12-21-16)20-11-18-7-14-4-15(8-18)6-17(2,5-14)10-18/h9,12-15,20H,3-8,10-11H2,1-2H3,(H,19,21).
What are the key properties of 1-(1H-imidazol-5-yl)-N-[(3-methyl-1-adamantyl)methyl]propan-2-amine?
1-(1H-imidazol-5-yl)-N-[(3-methyl-1-adamantyl)methyl]propan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-N-[(3-methyl-1-adamantyl)methyl]propan-2-amine is sourced from PubChem (CID 123762788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).