N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine

C12H21N3S — CID 66380830

IUPACN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine
SMILESCC1(NCc2csc(CN)n2)CCCCC1
InChIInChI=1S/C12H21N3S/c1-12(5-3-2-4-6-12)14-8-10-9-16-11(7-13)15-10/h9,14H,2-8,13H2,1H3
InChIKeySRRYVVXHMHPBFE-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.41
Rot. Bonds4

About N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine

N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine (PubChem CID 66380830) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine
PubChem CID66380830
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine
SMILESCC1(NCc2csc(CN)n2)CCCCC1
InChIInChI=1S/C12H21N3S/c1-12(5-3-2-4-6-12)14-8-10-9-16-11(7-13)15-10/h9,14H,2-8,13H2,1H3
InChIKeySRRYVVXHMHPBFE-UHFFFAOYSA-N
XLogP2.41
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine?
The IUPAC name of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine (CID 66380830) is N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine.
What is the SMILES notation for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine?
The canonical SMILES for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine is CC1(NCc2csc(CN)n2)CCCCC1.
What is the InChIKey of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine?
The InChIKey is SRRYVVXHMHPBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-12(5-3-2-4-6-12)14-8-10-9-16-11(7-13)15-10/h9,14H,2-8,13H2,1H3.
What are the key properties of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine?
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine has a molecular weight of 239.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine is sourced from PubChem (CID 66380830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).