N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine

C17H30N2S — CID 63405296

IUPACN-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine
SMILESCCNC1(c2nccs2)CCCCCCCCCCC1
InChIInChI=1S/C17H30N2S/c1-2-19-17(16-18-14-15-20-16)12-10-8-6-4-3-5-7-9-11-13-17/h14-15,19H,2-13H2,1H3
InChIKeyZOZIWRZHLVWBLM-UHFFFAOYSA-N
MW294.51 g/mol
LogP5.25
Rot. Bonds3

About N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine

N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine (PubChem CID 63405296) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine
PubChem CID63405296
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine
SMILESCCNC1(c2nccs2)CCCCCCCCCCC1
InChIInChI=1S/C17H30N2S/c1-2-19-17(16-18-14-15-20-16)12-10-8-6-4-3-5-7-9-11-13-17/h14-15,19H,2-13H2,1H3
InChIKeyZOZIWRZHLVWBLM-UHFFFAOYSA-N
XLogP5.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyl-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 61332772
N-ethyl-3-propan-2-yl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine
CID 103563902
4,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65086080
N-cyclopropyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61334064
N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 75377453
4-ethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65086079
2-(1-ethoxycycloheptyl)-1,3-thiazole
CID 116782694
1-ethyl-N-(2-methoxyethyl)-4-(1,3-thiazol-2-yl)azepan-4-amine
CID 65077549
4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 63405391
2,2-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 79846998
1-ethyl-N-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 130632851
2-amino-N-[1-(1,3-thiazol-2-yl)cyclopentyl]pentanamide
CID 119890159

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine?
The IUPAC name of N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine (CID 63405296) is N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine.
What is the SMILES notation for N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine?
The canonical SMILES for N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine is CCNC1(c2nccs2)CCCCCCCCCCC1.
What is the InChIKey of N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine?
The InChIKey is ZOZIWRZHLVWBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-2-19-17(16-18-14-15-20-16)12-10-8-6-4-3-5-7-9-11-13-17/h14-15,19H,2-13H2,1H3.
What are the key properties of N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine?
N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine is sourced from PubChem (CID 63405296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).