N-[(5-methyl-1H-imidazol-2-yl)methyl]adamantan-1-amine

C15H23N3 — CID 91584636

IUPACN-[(5-methyl-1H-imidazol-2-yl)methyl]adamantan-1-amine
SMILESCc1cnc(CNC23CC4CC(CC(C4)C2)C3)[nH]1
InChIInChI=1S/C15H23N3/c1-10-8-16-14(18-10)9-17-15-5-11-2-12(6-15)4-13(3-11)7-15/h8,11-13,17H,2-7,9H2,1H3,(H,16,18)
InChIKeyPDAAGEGTMLPCJC-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.78
Rot. Bonds3

About N-[(5-methyl-1H-imidazol-2-yl)methyl]adamantan-1-amine

N-[(5-methyl-1H-imidazol-2-yl)methyl]adamantan-1-amine (PubChem CID 91584636) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-2-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-2-yl)methyl]adamantan-1-amine
PubChem CID91584636
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[(5-methyl-1H-imidazol-2-yl)methyl]adamantan-1-amine
SMILESCc1cnc(CNC23CC4CC(CC(C4)C2)C3)[nH]1
InChIInChI=1S/C15H23N3/c1-10-8-16-14(18-10)9-17-15-5-11-2-12(6-15)4-13(3-11)7-15/h8,11-13,17H,2-7,9H2,1H3,(H,16,18)
InChIKeyPDAAGEGTMLPCJC-UHFFFAOYSA-N
XLogP2.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-2-yl)methyl]adamantan-1-amine?
The IUPAC name of N-[(5-methyl-1H-imidazol-2-yl)methyl]adamantan-1-amine (CID 91584636) is N-[(5-methyl-1H-imidazol-2-yl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-2-yl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(5-methyl-1H-imidazol-2-yl)methyl]adamantan-1-amine is Cc1cnc(CNC23CC4CC(CC(C4)C2)C3)[nH]1.
What is the InChIKey of N-[(5-methyl-1H-imidazol-2-yl)methyl]adamantan-1-amine?
The InChIKey is PDAAGEGTMLPCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-10-8-16-14(18-10)9-17-15-5-11-2-12(6-15)4-13(3-11)7-15/h8,11-13,17H,2-7,9H2,1H3,(H,16,18).
What are the key properties of N-[(5-methyl-1H-imidazol-2-yl)methyl]adamantan-1-amine?
N-[(5-methyl-1H-imidazol-2-yl)methyl]adamantan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-2-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 91584636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).