1-cycloheptyl-N-methyl-1-(2H-triazol-4-yl)methanamine

C11H20N4 — CID 82932214

IUPAC1-cycloheptyl-N-methyl-1-(2H-triazol-4-yl)methanamine
SMILESCNC(c1cn[nH]n1)C1CCCCCC1
InChIInChI=1S/C11H20N4/c1-12-11(10-8-13-15-14-10)9-6-4-2-3-5-7-9/h8-9,11-12H,2-7H2,1H3,(H,13,14,15)
InChIKeyHDOIDGWAWHUREF-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.04
Rot. Bonds3

About 1-cycloheptyl-N-methyl-1-(2H-triazol-4-yl)methanamine

1-cycloheptyl-N-methyl-1-(2H-triazol-4-yl)methanamine (PubChem CID 82932214) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-cycloheptyl-N-methyl-1-(2H-triazol-4-yl)methanamine.

Molecular Properties

Compound Name1-cycloheptyl-N-methyl-1-(2H-triazol-4-yl)methanamine
PubChem CID82932214
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-cycloheptyl-N-methyl-1-(2H-triazol-4-yl)methanamine
SMILESCNC(c1cn[nH]n1)C1CCCCCC1
InChIInChI=1S/C11H20N4/c1-12-11(10-8-13-15-14-10)9-6-4-2-3-5-7-9/h8-9,11-12H,2-7H2,1H3,(H,13,14,15)
InChIKeyHDOIDGWAWHUREF-UHFFFAOYSA-N
XLogP2.04
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[cyclopropyl(2H-triazol-4-yl)methyl]hydrazine
CID 105254611
1-cycloheptyl-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105176237
1-cyclopentyl-N-methyl-1-pyrazin-2-ylmethanamine
CID 60818557
1-cyclohexyl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 63839255
1-cycloheptyl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 82932487
1-cycloheptyl-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105176444
1-cycloheptyl-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82932122
1-cyclohexyl-N-methyl-1-pyridin-3-ylmethanamine
CID 60817955
1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688757
1-cycloheptyl-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 65400041
1-cyclohexyl-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102651300
1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 80603467

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-methyl-1-(2H-triazol-4-yl)methanamine?
The IUPAC name of 1-cycloheptyl-N-methyl-1-(2H-triazol-4-yl)methanamine (CID 82932214) is 1-cycloheptyl-N-methyl-1-(2H-triazol-4-yl)methanamine.
What is the SMILES notation for 1-cycloheptyl-N-methyl-1-(2H-triazol-4-yl)methanamine?
The canonical SMILES for 1-cycloheptyl-N-methyl-1-(2H-triazol-4-yl)methanamine is CNC(c1cn[nH]n1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-N-methyl-1-(2H-triazol-4-yl)methanamine?
The InChIKey is HDOIDGWAWHUREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-12-11(10-8-13-15-14-10)9-6-4-2-3-5-7-9/h8-9,11-12H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 1-cycloheptyl-N-methyl-1-(2H-triazol-4-yl)methanamine?
1-cycloheptyl-N-methyl-1-(2H-triazol-4-yl)methanamine has a molecular weight of 208.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-methyl-1-(2H-triazol-4-yl)methanamine is sourced from PubChem (CID 82932214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).