1-(1-ethylimidazol-2-yl)-N-methyl-1-(3-methyl-1-adamantyl)methanamine

C18H29N3 — CID 115860118

IUPAC1-(1-ethylimidazol-2-yl)-N-methyl-1-(3-methyl-1-adamantyl)methanamine
SMILESCCn1ccnc1C(NC)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C18H29N3/c1-4-21-6-5-20-16(21)15(19-3)18-10-13-7-14(11-18)9-17(2,8-13)12-18/h5-6,13-15,19H,4,7-12H2,1-3H3
InChIKeyCWKNAUQDGPLMHN-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.77
Rot. Bonds4

About 1-(1-ethylimidazol-2-yl)-N-methyl-1-(3-methyl-1-adamantyl)methanamine

1-(1-ethylimidazol-2-yl)-N-methyl-1-(3-methyl-1-adamantyl)methanamine (PubChem CID 115860118) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-N-methyl-1-(3-methyl-1-adamantyl)methanamine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-N-methyl-1-(3-methyl-1-adamantyl)methanamine
PubChem CID115860118
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-(1-ethylimidazol-2-yl)-N-methyl-1-(3-methyl-1-adamantyl)methanamine
SMILESCCn1ccnc1C(NC)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C18H29N3/c1-4-21-6-5-20-16(21)15(19-3)18-10-13-7-14(11-18)9-17(2,8-13)12-18/h5-6,13-15,19H,4,7-12H2,1-3H3
InChIKeyCWKNAUQDGPLMHN-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyl-1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115838051
[(3,5-dimethyl-1-adamantyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105250162
3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
CID 63199792
N-[(1-ethylimidazol-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 115860210
1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 63967915
1-(1-ethylcyclopentyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 115858981
1-(3-ethylcyclopentyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 65410037
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 79974244
N-methyl-1-(3-methyl-1-adamantyl)pent-4-en-1-amine
CID 104987277
1-ethyl-2-[(1R)-1-iodoethyl]imidazole
CID 97177373
N,N,4-trimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79061796
N,N-dimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 79064561

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-N-methyl-1-(3-methyl-1-adamantyl)methanamine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-N-methyl-1-(3-methyl-1-adamantyl)methanamine (CID 115860118) is 1-(1-ethylimidazol-2-yl)-N-methyl-1-(3-methyl-1-adamantyl)methanamine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-N-methyl-1-(3-methyl-1-adamantyl)methanamine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-N-methyl-1-(3-methyl-1-adamantyl)methanamine is CCn1ccnc1C(NC)C12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-N-methyl-1-(3-methyl-1-adamantyl)methanamine?
The InChIKey is CWKNAUQDGPLMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-4-21-6-5-20-16(21)15(19-3)18-10-13-7-14(11-18)9-17(2,8-13)12-18/h5-6,13-15,19H,4,7-12H2,1-3H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-N-methyl-1-(3-methyl-1-adamantyl)methanamine?
1-(1-ethylimidazol-2-yl)-N-methyl-1-(3-methyl-1-adamantyl)methanamine has a molecular weight of 287.45 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-N-methyl-1-(3-methyl-1-adamantyl)methanamine is sourced from PubChem (CID 115860118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).