2,3,3-trimethyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]cyclohexan-1-amine

C15H27N3S — CID 102627895

IUPAC2,3,3-trimethyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]cyclohexan-1-amine
SMILESCC1C(N)CCC(CNCCc2cscn2)C1(C)C
InChIInChI=1S/C15H27N3S/c1-11-14(16)5-4-12(15(11,2)3)8-17-7-6-13-9-19-10-18-13/h9-12,14,17H,4-8,16H2,1-3H3
InChIKeyMZHJSOGGWHLBSN-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.67
Rot. Bonds5

About 2,3,3-trimethyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]cyclohexan-1-amine

2,3,3-trimethyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]cyclohexan-1-amine (PubChem CID 102627895) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 2,3,3-trimethyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]cyclohexan-1-amine
PubChem CID102627895
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name2,3,3-trimethyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]cyclohexan-1-amine
SMILESCC1C(N)CCC(CNCCc2cscn2)C1(C)C
InChIInChI=1S/C15H27N3S/c1-11-14(16)5-4-12(15(11,2)3)8-17-7-6-13-9-19-10-18-13/h9-12,14,17H,4-8,16H2,1-3H3
InChIKeyMZHJSOGGWHLBSN-UHFFFAOYSA-N
XLogP2.67
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63830953
N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63823778
N-(oxolan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63830252
N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 82835172
cis-(1S,2R)-2,4,4-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclopentan-1-amine
CID 124624188
N-[(1-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63829717
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829903
N-(oxan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63831696
1-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclobutan-1-amine
CID 79842978
2-methyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline
CID 63824138
3,3,5-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
CID 63829195
2-(1,3-thiazol-4-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82916054

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]cyclohexan-1-amine?
The IUPAC name of 2,3,3-trimethyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]cyclohexan-1-amine (CID 102627895) is 2,3,3-trimethyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]cyclohexan-1-amine is CC1C(N)CCC(CNCCc2cscn2)C1(C)C.
What is the InChIKey of 2,3,3-trimethyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]cyclohexan-1-amine?
The InChIKey is MZHJSOGGWHLBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-11-14(16)5-4-12(15(11,2)3)8-17-7-6-13-9-19-10-18-13/h9-12,14,17H,4-8,16H2,1-3H3.
What are the key properties of 2,3,3-trimethyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]cyclohexan-1-amine?
2,3,3-trimethyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]cyclohexan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 102627895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).