2,3,3-trimethyl-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-amine

C15H27N3S — CID 102627757

IUPAC2,3,3-trimethyl-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-amine
SMILESCc1ncc(CNCC2CCC(N)C(C)C2(C)C)s1
InChIInChI=1S/C15H27N3S/c1-10-14(16)6-5-12(15(10,3)4)7-17-8-13-9-18-11(2)19-13/h9-10,12,14,17H,5-8,16H2,1-4H3
InChIKeyCBVIPEGNEFVONF-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.94
Rot. Bonds4

About 2,3,3-trimethyl-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-amine

2,3,3-trimethyl-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-amine (PubChem CID 102627757) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 2,3,3-trimethyl-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-amine
PubChem CID102627757
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name2,3,3-trimethyl-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-amine
SMILESCc1ncc(CNCC2CCC(N)C(C)C2(C)C)s1
InChIInChI=1S/C15H27N3S/c1-10-14(16)6-5-12(15(10,3)4)7-17-8-13-9-18-11(2)19-13/h9-10,12,14,17H,5-8,16H2,1-4H3
InChIKeyCBVIPEGNEFVONF-UHFFFAOYSA-N
XLogP2.94
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,3,3-trimethyl-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-amine with MolForge

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Related Compounds

1-(2-methylcyclopentyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 107417627
4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine
CID 79208325
4-[[(3-bromothiophen-2-yl)methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627967
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 115757779
4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962338
2,3,3-trimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine
CID 102627893
4-[(3-cyclopropylpropylamino)methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102628023
3-cyclopropyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115639558
1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528702
1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 128976235
N,N-dimethyl-1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine
CID 115281055
1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine
CID 79459261

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of 2,3,3-trimethyl-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-amine (CID 102627757) is 2,3,3-trimethyl-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-amine is Cc1ncc(CNCC2CCC(N)C(C)C2(C)C)s1.
What is the InChIKey of 2,3,3-trimethyl-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-amine?
The InChIKey is CBVIPEGNEFVONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-10-14(16)6-5-12(15(10,3)4)7-17-8-13-9-18-11(2)19-13/h9-10,12,14,17H,5-8,16H2,1-4H3.
What are the key properties of 2,3,3-trimethyl-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-amine?
2,3,3-trimethyl-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 2.94, 4 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-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 102627757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).