N-methyl-1-[2-[(1-methylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine

C14H23N3 — CID 62725957

IUPACN-methyl-1-[2-[(1-methylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESCNCC1(Cc2cnn(C)c2)CC2CCC1C2
InChIInChI=1S/C14H23N3/c1-15-10-14(6-11-3-4-13(14)5-11)7-12-8-16-17(2)9-12/h8-9,11,13,15H,3-7,10H2,1-2H3
InChIKeyGOHXSVUCXMHJOX-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.99
Rot. Bonds4

About N-methyl-1-[2-[(1-methylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine

N-methyl-1-[2-[(1-methylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine (PubChem CID 62725957) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-methyl-1-[2-[(1-methylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(1-methylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine
PubChem CID62725957
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-methyl-1-[2-[(1-methylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESCNCC1(Cc2cnn(C)c2)CC2CCC1C2
InChIInChI=1S/C14H23N3/c1-15-10-14(6-11-3-4-13(14)5-11)7-12-8-16-17(2)9-12/h8-9,11,13,15H,3-7,10H2,1-2H3
InChIKeyGOHXSVUCXMHJOX-UHFFFAOYSA-N
XLogP1.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(1-ethylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
CID 55106783
4-[2-[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methylpyrazole
CID 103018348
N-methyl-1-(2-propyl-2-bicyclo[2.2.1]heptanyl)methanamine
CID 62725163
N-methyl-1-[2-[2-(1-methylimidazol-2-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine
CID 114531410
N-methyl-1-[2-(naphthalen-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 63520754
N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine
CID 63521463
2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 112644073
N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63522350
[2-[(1-methylpyrazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
CID 65394686
4-methyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 65115613
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194443
N-[[2-[(3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63521649

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(1-methylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine?
The IUPAC name of N-methyl-1-[2-[(1-methylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine (CID 62725957) is N-methyl-1-[2-[(1-methylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[(1-methylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[(1-methylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine is CNCC1(Cc2cnn(C)c2)CC2CCC1C2.
What is the InChIKey of N-methyl-1-[2-[(1-methylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine?
The InChIKey is GOHXSVUCXMHJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-15-10-14(6-11-3-4-13(14)5-11)7-12-8-16-17(2)9-12/h8-9,11,13,15H,3-7,10H2,1-2H3.
What are the key properties of N-methyl-1-[2-[(1-methylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine?
N-methyl-1-[2-[(1-methylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine has a molecular weight of 233.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(1-methylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine is sourced from PubChem (CID 62725957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).