1-(cyclohepten-1-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine

C13H21N3 — CID 106653201

IUPAC1-(cyclohepten-1-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
SMILESCNC(C1=CCCCCC1)c1cnn(C)c1
InChIInChI=1S/C13H21N3/c1-14-13(12-9-15-16(2)10-12)11-7-5-3-4-6-8-11/h7,9-10,13-14H,3-6,8H2,1-2H3
InChIKeyXGWHJBFOOPYCLL-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.57
Rot. Bonds3

About 1-(cyclohepten-1-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine

1-(cyclohepten-1-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (PubChem CID 106653201) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
PubChem CID106653201
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(cyclohepten-1-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
SMILESCNC(C1=CCCCCC1)c1cnn(C)c1
InChIInChI=1S/C13H21N3/c1-14-13(12-9-15-16(2)10-12)11-7-5-3-4-6-8-11/h7,9-10,13-14H,3-6,8H2,1-2H3
InChIKeyXGWHJBFOOPYCLL-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine
CID 106652492
1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 55160436
1-(3-chloro-4-fluorophenyl)-1-[(1E)-cycloocten-1-yl]-N-methylmethanamine
CID 106652930
N-methyl-1-(1-methylpyrazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105104228
1-[(1E)-cycloocten-1-yl]-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 106656528
1-(cyclohexen-1-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106756069
1-(cyclohexen-1-yl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine
CID 106657394
1-(4-chloro-3-fluorophenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 107995961
1-(cyclopenten-1-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 62079794
1-(cycloocten-1-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
CID 106654015
1-(cyclohexen-1-yl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 55034413
1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 62079581

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (CID 106653201) is 1-(cyclohepten-1-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine is CNC(C1=CCCCCC1)c1cnn(C)c1.
What is the InChIKey of 1-(cyclohepten-1-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is XGWHJBFOOPYCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-14-13(12-9-15-16(2)10-12)11-7-5-3-4-6-8-11/h7,9-10,13-14H,3-6,8H2,1-2H3.
What are the key properties of 1-(cyclohepten-1-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
1-(cyclohepten-1-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 106653201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).