N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine

C14H25N3S — CID 79533664

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(C(C)NCC2CCC(CN)CC2)n1
InChIInChI=1S/C14H25N3S/c1-10-9-18-14(17-10)11(2)16-8-13-5-3-12(7-15)4-6-13/h9,11-13,16H,3-8,15H2,1-2H3
InChIKeyICIGGQKMXSSDFX-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.87
Rot. Bonds5

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

N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 79533664) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID79533664
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(C(C)NCC2CCC(CN)CC2)n1
InChIInChI=1S/C14H25N3S/c1-10-9-18-14(17-10)11(2)16-8-13-5-3-12(7-15)4-6-13/h9,11-13,16H,3-8,15H2,1-2H3
InChIKeyICIGGQKMXSSDFX-UHFFFAOYSA-N
XLogP2.87
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

{1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
CID 50987749
(1S,2R,3R,5R)-2,6,6-trimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[3.1.1]heptan-3-amine
CID 145957974
4-Methyl-2-(pyrrolidin-2-yl)-1,3-thiazole
CID 22256522
4-(4-Methyl-1,3-thiazol-2-yl)piperidine
CID 23404938
3-(4-Methyl-1,3-thiazol-2-yl)piperidine
CID 24261803
4-(4-Ethyl-1,3-thiazol-2-yl)piperidine
CID 24261827
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56721252
3-(4-Ethyl-1,3-thiazol-2-yl)piperidine
CID 24261805
3-(4-(Propan-2-yl)-1,3-thiazol-2-yl)piperidine
CID 24261806
Cyclopropyl(4-methyl-1,3-thiazol-2-yl)methanamine
CID 46785177
4-[4-(Propan-2-yl)-1,3-thiazol-2-yl]piperidine
CID 24261828
1-cyclopropyl-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 75383313

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 79533664) is N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1csc(C(C)NCC2CCC(CN)CC2)n1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is ICIGGQKMXSSDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-10-9-18-14(17-10)11(2)16-8-13-5-3-12(7-15)4-6-13/h9,11-13,16H,3-8,15H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 267.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 79533664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).