N-ethyl-4-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-amine

C15H27N3S — CID 62609438

IUPACN-ethyl-4-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCCNC1CCC(C)CC1CN(C)Cc1cscn1
InChIInChI=1S/C15H27N3S/c1-4-16-15-6-5-12(2)7-13(15)8-18(3)9-14-10-19-11-17-14/h10-13,15-16H,4-9H2,1-3H3
InChIKeyPBPKOAJIVNEOKH-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.99
Rot. Bonds6

About N-ethyl-4-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-amine

N-ethyl-4-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 62609438) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-amine
PubChem CID62609438
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-ethyl-4-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCCNC1CCC(C)CC1CN(C)Cc1cscn1
InChIInChI=1S/C15H27N3S/c1-4-16-15-6-5-12(2)7-13(15)8-18(3)9-14-10-19-11-17-14/h10-13,15-16H,4-9H2,1-3H3
InChIKeyPBPKOAJIVNEOKH-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-amine (CID 62609438) is N-ethyl-4-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-amine is CCNC1CCC(C)CC1CN(C)Cc1cscn1.
What is the InChIKey of N-ethyl-4-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is PBPKOAJIVNEOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-4-16-15-6-5-12(2)7-13(15)8-18(3)9-14-10-19-11-17-14/h10-13,15-16H,4-9H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-amine?
N-ethyl-4-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62609438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).