N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]cycloheptyl]methanamine

C14H25N3 — CID 82882248

IUPACN-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]cycloheptyl]methanamine
SMILESCNCC1CCCCCC1Cc1ccn(C)n1
InChIInChI=1S/C14H25N3/c1-15-11-13-7-5-3-4-6-12(13)10-14-8-9-17(2)16-14/h8-9,12-13,15H,3-7,10-11H2,1-2H3
InChIKeyVIXYPMRWLVSZAU-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.38
Rot. Bonds4

About N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]cycloheptyl]methanamine

N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]cycloheptyl]methanamine (PubChem CID 82882248) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]cycloheptyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]cycloheptyl]methanamine
PubChem CID82882248
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]cycloheptyl]methanamine
SMILESCNCC1CCCCCC1Cc1ccn(C)n1
InChIInChI=1S/C14H25N3/c1-15-11-13-7-5-3-4-6-12(13)10-14-8-9-17(2)16-14/h8-9,12-13,15H,3-7,10-11H2,1-2H3
InChIKeyVIXYPMRWLVSZAU-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chlorocycloheptyl)methyl]-1-methylpyrazole
CID 82876103
N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine
CID 82882340
N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026099
2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027054
2-methyl-3-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one
CID 82870749
N-methyl-1-[2-(1,3-thiazol-5-ylmethyl)cycloheptyl]methanamine
CID 112645590
2-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one
CID 82869773
1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81032455
2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81028346
[1-cyclohexyl-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105201792
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025251
1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876973

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]cycloheptyl]methanamine?
The IUPAC name of N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]cycloheptyl]methanamine (CID 82882248) is N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]cycloheptyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]cycloheptyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]cycloheptyl]methanamine is CNCC1CCCCCC1Cc1ccn(C)n1.
What is the InChIKey of N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]cycloheptyl]methanamine?
The InChIKey is VIXYPMRWLVSZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-15-11-13-7-5-3-4-6-12(13)10-14-8-9-17(2)16-14/h8-9,12-13,15H,3-7,10-11H2,1-2H3.
What are the key properties of N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]cycloheptyl]methanamine?
N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]cycloheptyl]methanamine has a molecular weight of 235.37 g/mol, XLogP of 2.38, 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-3-yl)methyl]cycloheptyl]methanamine is sourced from PubChem (CID 82882248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).