N-[(1-methylimidazol-2-yl)methyl]adamantan-1-amine

C15H23N3 — CID 43142865

IUPACN-[(1-methylimidazol-2-yl)methyl]adamantan-1-amine
SMILESCn1ccnc1CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23N3/c1-18-3-2-16-14(18)10-17-15-7-11-4-12(8-15)6-13(5-11)9-15/h2-3,11-13,17H,4-10H2,1H3
InChIKeyDCIUQHHVPFJAGD-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.48
Rot. Bonds3

About N-[(1-methylimidazol-2-yl)methyl]adamantan-1-amine

N-[(1-methylimidazol-2-yl)methyl]adamantan-1-amine (PubChem CID 43142865) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]adamantan-1-amine
PubChem CID43142865
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]adamantan-1-amine
SMILESCn1ccnc1CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23N3/c1-18-3-2-16-14(18)10-17-15-7-11-4-12(8-15)6-13(5-11)9-15/h2-3,11-13,17H,4-10H2,1H3
InChIKeyDCIUQHHVPFJAGD-UHFFFAOYSA-N
XLogP2.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 115630443
[1-[(1-methylimidazol-2-yl)methylamino]cyclopropyl]methanol
CID 115763066
1-(1-adamantyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine
CID 70755285
1-(1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529718
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
N-[(1-methylimidazol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352515
[1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine
CID 126971916
N-[(5-methyl-1H-imidazol-2-yl)methyl]adamantan-1-amine
CID 91584636
3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 112553123
N-[(1-methylimidazol-2-yl)methyl]-2-propylcyclopropan-1-amine;hydrochloride
CID 115664709
N-[(1-methylimidazol-2-yl)methyl]thian-3-amine
CID 63292249
1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 60689135

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]adamantan-1-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]adamantan-1-amine (CID 43142865) is N-[(1-methylimidazol-2-yl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]adamantan-1-amine is Cn1ccnc1CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]adamantan-1-amine?
The InChIKey is DCIUQHHVPFJAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-18-3-2-16-14(18)10-17-15-7-11-4-12(8-15)6-13(5-11)9-15/h2-3,11-13,17H,4-10H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]adamantan-1-amine?
N-[(1-methylimidazol-2-yl)methyl]adamantan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 43142865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).