1-(cycloocten-1-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine

C13H20N2S — CID 106654015

IUPAC1-(cycloocten-1-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
SMILESCNC(C1=CCCCCCC1)c1cscn1
InChIInChI=1S/C13H20N2S/c1-14-13(12-9-16-10-15-12)11-7-5-3-2-4-6-8-11/h7,9-10,13-14H,2-6,8H2,1H3
InChIKeyUZOIJUIXZQBLRQ-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.68
Rot. Bonds3

About 1-(cycloocten-1-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine

1-(cycloocten-1-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine (PubChem CID 106654015) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
PubChem CID106654015
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name1-(cycloocten-1-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
SMILESCNC(C1=CCCCCCC1)c1cscn1
InChIInChI=1S/C13H20N2S/c1-14-13(12-9-16-10-15-12)11-7-5-3-2-4-6-8-11/h7,9-10,13-14H,2-6,8H2,1H3
InChIKeyUZOIJUIXZQBLRQ-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.68
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

[cyclohexen-1-yl(1,3-thiazol-4-yl)methyl]hydrazine
CID 106649352
cyclohepten-1-yl(1,3-thiazol-4-yl)methanamine
CID 82236016
N-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 114987412
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
CID 102647886
1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine
CID 82237298
1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine
CID 106652492
1-(5-chlorothiophen-2-yl)-1-[(1E)-cycloocten-1-yl]-N-methylmethanamine
CID 106656247
1-(cyclohepten-1-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 106653201
1-(cycloocten-1-yl)-N-methylethanamine
CID 106652570
1-[(1E)-cycloocten-1-yl]-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 106654066
1-[(1E)-cycloocten-1-yl]-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 106656781
1-(cyclohexen-1-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106756069

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of 1-(cycloocten-1-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine (CID 106654015) is 1-(cycloocten-1-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for 1-(cycloocten-1-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for 1-(cycloocten-1-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine is CNC(C1=CCCCCCC1)c1cscn1.
What is the InChIKey of 1-(cycloocten-1-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
The InChIKey is UZOIJUIXZQBLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-14-13(12-9-16-10-15-12)11-7-5-3-2-4-6-8-11/h7,9-10,13-14H,2-6,8H2,1H3.
What are the key properties of 1-(cycloocten-1-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
1-(cycloocten-1-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine has a molecular weight of 236.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 106654015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).