1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine

C13H20N2S — CID 129397890

IUPAC1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncc(CN(C)C[C@@H]2CC=CCC2)s1
InChIInChI=1S/C13H20N2S/c1-11-14-8-13(16-11)10-15(2)9-12-6-4-3-5-7-12/h3-4,8,12H,5-7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyVAYYZLWFBZTAHL-GFCCVEGCSA-N
MW236.38 g/mol
LogP3.24
Rot. Bonds4

About 1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine

1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 129397890) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID129397890
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncc(CN(C)C[C@@H]2CC=CCC2)s1
InChIInChI=1S/C13H20N2S/c1-11-14-8-13(16-11)10-15(2)9-12-6-4-3-5-7-12/h3-4,8,12H,5-7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyVAYYZLWFBZTAHL-GFCCVEGCSA-N
XLogP3.24
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 124568392
(2R)-1-[4-[[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 95340517
1-cyclohex-3-en-1-yl-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 74242475
1-cyclohex-3-en-1-yl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methylmethanamine
CID 74247420
ethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate
CID 61372216
N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 165376869
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 79764596
3-N-(cyclohex-3-en-1-ylmethyl)-2-N,2-N,3-N-trimethylpyrazine-2,3-diamine
CID 133475752
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 71642202
methyl 4-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]butanoate
CID 62045674
(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119859306
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-4-amine
CID 104974370

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 129397890) is 1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is Cc1ncc(CN(C)C[C@@H]2CC=CCC2)s1.
What is the InChIKey of 1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is VAYYZLWFBZTAHL-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N2S/c1-11-14-8-13(16-11)10-15(2)9-12-6-4-3-5-7-12/h3-4,8,12H,5-7,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 236.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 129397890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).