N-[1-(aminomethyl)-3-methylcyclohexyl]-4-ethyl-1,3-thiazol-2-amine

C13H23N3S — CID 63759085

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NC2(CN)CCCC(C)C2)n1
InChIInChI=1S/C13H23N3S/c1-3-11-8-17-12(15-11)16-13(9-14)6-4-5-10(2)7-13/h8,10H,3-7,9,14H2,1-2H3,(H,15,16)
InChIKeyOIPHTGBSEDAHKV-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.03
Rot. Bonds4

About N-[1-(aminomethyl)-3-methylcyclohexyl]-4-ethyl-1,3-thiazol-2-amine

N-[1-(aminomethyl)-3-methylcyclohexyl]-4-ethyl-1,3-thiazol-2-amine (PubChem CID 63759085) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]-4-ethyl-1,3-thiazol-2-amine
PubChem CID63759085
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NC2(CN)CCCC(C)C2)n1
InChIInChI=1S/C13H23N3S/c1-3-11-8-17-12(15-11)16-13(9-14)6-4-5-10(2)7-13/h8,10H,3-7,9,14H2,1-2H3,(H,15,16)
InChIKeyOIPHTGBSEDAHKV-UHFFFAOYSA-N
XLogP3.03
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)-4-methylcyclohexyl]-4-ethyl-1,3-thiazol-2-amine
CID 63759277
N-[1-(aminomethyl)-3-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 63759270
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-ethyltriazol-4-amine
CID 114223495
3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-methylpyrazin-2-one
CID 63760024
N-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine
CID 63761826
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline
CID 65376483
4-ethyl-N-(2-methylcyclopropyl)-1,3-thiazol-2-amine
CID 62961373
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline
CID 65379249
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline
CID 63760412
N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromo-3-methylpyridin-2-amine
CID 79718564
2-[(4-ethyl-1,3-thiazol-2-yl)amino]cyclohexan-1-ol
CID 62961190
4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide
CID 63759832

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-4-ethyl-1,3-thiazol-2-amine (CID 63759085) is N-[1-(aminomethyl)-3-methylcyclohexyl]-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]-4-ethyl-1,3-thiazol-2-amine is CCc1csc(NC2(CN)CCCC(C)C2)n1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is OIPHTGBSEDAHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-11-8-17-12(15-11)16-13(9-14)6-4-5-10(2)7-13/h8,10H,3-7,9,14H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]-4-ethyl-1,3-thiazol-2-amine?
N-[1-(aminomethyl)-3-methylcyclohexyl]-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclohexyl]-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63759085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).