2,2-dimethyl-6-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-amine

C15H27N3S — CID 79848805

IUPAC2,2-dimethyl-6-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-amine
SMILESCc1ncsc1CN(C)CC1CCCC(C)(C)C1N
InChIInChI=1S/C15H27N3S/c1-11-13(19-10-17-11)9-18(4)8-12-6-5-7-15(2,3)14(12)16/h10,12,14H,5-9,16H2,1-4H3
InChIKeyGJUSAHVXLOCHJX-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.04
Rot. Bonds4

About 2,2-dimethyl-6-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-amine

2,2-dimethyl-6-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-amine (PubChem CID 79848805) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 2,2-dimethyl-6-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-amine
PubChem CID79848805
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name2,2-dimethyl-6-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-amine
SMILESCc1ncsc1CN(C)CC1CCCC(C)(C)C1N
InChIInChI=1S/C15H27N3S/c1-11-13(19-10-17-11)9-18(4)8-12-6-5-7-15(2,3)14(12)16/h10,12,14H,5-9,16H2,1-4H3
InChIKeyGJUSAHVXLOCHJX-UHFFFAOYSA-N
XLogP3.04
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-amine (CID 79848805) is 2,2-dimethyl-6-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-amine is Cc1ncsc1CN(C)CC1CCCC(C)(C)C1N.
What is the InChIKey of 2,2-dimethyl-6-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-amine?
The InChIKey is GJUSAHVXLOCHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-11-13(19-10-17-11)9-18(4)8-12-6-5-7-15(2,3)14(12)16/h10,12,14H,5-9,16H2,1-4H3.
What are the key properties of 2,2-dimethyl-6-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-amine?
2,2-dimethyl-6-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 79848805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).