3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-methyl-N-propan-2-ylpropan-1-amine

C14H27N3S — CID 136747473

IUPAC3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)N(C)CCC/N=C1/NC2CCCC2CS1
InChIInChI=1S/C14H27N3S/c1-11(2)17(3)9-5-8-15-14-16-13-7-4-6-12(13)10-18-14/h11-13H,4-10H2,1-3H3,(H,15,16)
InChIKeyZMQCEUJWDWCAES-UHFFFAOYSA-N
MW269.46 g/mol
LogP2.58
Rot. Bonds5

About 3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-methyl-N-propan-2-ylpropan-1-amine

3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 136747473) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-methyl-N-propan-2-ylpropan-1-amine
PubChem CID136747473
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)N(C)CCC/N=C1/NC2CCCC2CS1
InChIInChI=1S/C14H27N3S/c1-11(2)17(3)9-5-8-15-14-16-13-7-4-6-12(13)10-18-14/h11-13H,4-10H2,1-3H3,(H,15,16)
InChIKeyZMQCEUJWDWCAES-UHFFFAOYSA-N
XLogP2.58
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-methyl-N-propan-2-ylpropan-1-amine with MolForge

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Related Compounds

N-(4-methylpentyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747120
N-[2-(3-methylbutoxy)ethyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136993499
N-[1-(1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-ylideneamino)propan-2-yl]-N-methylcyclopropanamine
CID 136747457
N-ethyl-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136713680
1-[(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 136747265
N-(5,5,5-trifluoropentyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747257
N-[2-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylpropan-2-amine
CID 136948792
N-[2-(2,2-difluoroethoxy)ethyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136993584
N-(2-phenylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136746896
N-[(1-methylcyclopentyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136993516
3-(1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-ylideneamino)-N,N,2,2-tetramethylpropan-1-amine
CID 136746870
3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-cyclopropylpropanamide
CID 136993526

Frequently Asked Questions

What is the IUPAC name of 3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-methyl-N-propan-2-ylpropan-1-amine (CID 136747473) is 3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-methyl-N-propan-2-ylpropan-1-amine is CC(C)N(C)CCC/N=C1/NC2CCCC2CS1.
What is the InChIKey of 3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is ZMQCEUJWDWCAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-11(2)17(3)9-5-8-15-14-16-13-7-4-6-12(13)10-18-14/h11-13H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-methyl-N-propan-2-ylpropan-1-amine?
3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 269.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 136747473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).