N-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine

C14H24N2S — CID 65085428

IUPACN-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine
SMILESCCNC1(c2nc(C)cs2)CCCC(C)CC1
InChIInChI=1S/C14H24N2S/c1-4-15-14(13-16-12(3)10-17-13)8-5-6-11(2)7-9-14/h10-11,15H,4-9H2,1-3H3
InChIKeySJIPOBUQYBORDM-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.86
Rot. Bonds3

About N-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine

N-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine (PubChem CID 65085428) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine
PubChem CID65085428
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine
SMILESCCNC1(c2nc(C)cs2)CCCC(C)CC1
InChIInChI=1S/C14H24N2S/c1-4-15-14(13-16-12(3)10-17-13)8-5-6-11(2)7-9-14/h10-11,15H,4-9H2,1-3H3
InChIKeySJIPOBUQYBORDM-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine
CID 65084804
N,4-diethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61330024
N-ethyl-8-(4-methyl-1,3-thiazol-2-yl)spiro[4.5]decan-8-amine
CID 114819099
N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107449620
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine
CID 64514285
N-ethyl-4-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine
CID 65084641
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcyclopentan-1-amine
CID 64515479
N-ethyl-3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine
CID 106823127
1-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 55106298
N,4-diethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65085927
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-dihydroinden-2-amine
CID 61331971
N-ethyl-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)oxolan-3-amine
CID 82717309

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine?
The IUPAC name of N-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine (CID 65085428) is N-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine is CCNC1(c2nc(C)cs2)CCCC(C)CC1.
What is the InChIKey of N-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine?
The InChIKey is SJIPOBUQYBORDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-15-14(13-16-12(3)10-17-13)8-5-6-11(2)7-9-14/h10-11,15H,4-9H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine?
N-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 65085428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).