1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine

C13H21N3 — CID 141311108

IUPAC1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine
SMILESCc1[nH]cnc1CNC1CC2CC(C)(C2)C1
InChIInChI=1S/C13H21N3/c1-9-12(16-8-15-9)7-14-11-3-10-4-13(2,5-10)6-11/h8,10-11,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyLBNSTHXRORAPFK-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.39
Rot. Bonds3

About 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine

1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine (PubChem CID 141311108) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine.

Molecular Properties

Compound Name1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine
PubChem CID141311108
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine
SMILESCc1[nH]cnc1CNC1CC2CC(C)(C2)C1
InChIInChI=1S/C13H21N3/c1-9-12(16-8-15-9)7-14-11-3-10-4-13(2,5-10)6-11/h8,10-11,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyLBNSTHXRORAPFK-UHFFFAOYSA-N
XLogP2.39
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine?
The IUPAC name of 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine (CID 141311108) is 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine.
What is the SMILES notation for 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine?
The canonical SMILES for 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine is Cc1[nH]cnc1CNC1CC2CC(C)(C2)C1.
What is the InChIKey of 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine?
The InChIKey is LBNSTHXRORAPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-12(16-8-15-9)7-14-11-3-10-4-13(2,5-10)6-11/h8,10-11,14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine?
1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine has a molecular weight of 219.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine is sourced from PubChem (CID 141311108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).