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

C16H29N3S — CID 63836320

IUPAC2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CN(C)Cc2scnc2C)C1
InChIInChI=1S/C16H29N3S/c1-4-5-13-6-7-15(17)14(8-13)9-19(3)10-16-12(2)18-11-20-16/h11,13-15H,4-10,17H2,1-3H3
InChIKeyHGCFIGPFWZDIGU-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.43
Rot. Bonds6

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

2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine (PubChem CID 63836320) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine
PubChem CID63836320
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CN(C)Cc2scnc2C)C1
InChIInChI=1S/C16H29N3S/c1-4-5-13-6-7-15(17)14(8-13)9-19(3)10-16-12(2)18-11-20-16/h11,13-15H,4-10,17H2,1-3H3
InChIKeyHGCFIGPFWZDIGU-UHFFFAOYSA-N
XLogP3.43
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of 2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine (CID 63836320) is 2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(CN(C)Cc2scnc2C)C1.
What is the InChIKey of 2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine?
The InChIKey is HGCFIGPFWZDIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-4-5-13-6-7-15(17)14(8-13)9-19(3)10-16-12(2)18-11-20-16/h11,13-15H,4-10,17H2,1-3H3.
What are the key properties of 2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine?
2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine has a molecular weight of 295.50 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63836320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).