N-[2-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylpropan-2-amine

C12H25N3S — CID 136948792

IUPACN-[2-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylpropan-2-amine
SMILESCC1CS/C(=N\CCN(C)C(C)C)NC1C
InChIInChI=1S/C12H25N3S/c1-9(2)15(5)7-6-13-12-14-11(4)10(3)8-16-12/h9-11H,6-8H2,1-5H3,(H,13,14)
InChIKeyPXNNHXQKLHNTQP-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.04
Rot. Bonds4

About N-[2-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylpropan-2-amine

N-[2-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylpropan-2-amine (PubChem CID 136948792) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is N-[2-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylpropan-2-amine
PubChem CID136948792
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC NameN-[2-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylpropan-2-amine
SMILESCC1CS/C(=N\CCN(C)C(C)C)NC1C
InChIInChI=1S/C12H25N3S/c1-9(2)15(5)7-6-13-12-14-11(4)10(3)8-16-12/h9-11H,6-8H2,1-5H3,(H,13,14)
InChIKeyPXNNHXQKLHNTQP-UHFFFAOYSA-N
XLogP2.04
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]-N,N-dimethylbutan-1-amine
CID 136948772
4,5-dimethyl-N-[3-(2-methylpropoxy)propyl]-1,3-thiazinan-2-imine
CID 136765003
4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine
CID 136948828
N-(5-methoxypentyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136857894
3-[2-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-1,1-dimethylurea
CID 137002781
N-(2-ethylbutyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136960712
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
4,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-2-imine
CID 136948806
N-methyl-N-[2-[[4-(2-methylpropyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]butan-2-amine
CID 136999800
N-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine
CID 136871648
N-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 164654580
4,5-dimethyl-N-(2-phenylpropyl)-1,3-thiazinan-2-imine
CID 136948902

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylpropan-2-amine?
The IUPAC name of N-[2-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylpropan-2-amine (CID 136948792) is N-[2-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[2-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[2-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylpropan-2-amine is CC1CS/C(=N\CCN(C)C(C)C)NC1C.
What is the InChIKey of N-[2-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylpropan-2-amine?
The InChIKey is PXNNHXQKLHNTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-9(2)15(5)7-6-13-12-14-11(4)10(3)8-16-12/h9-11H,6-8H2,1-5H3,(H,13,14).
What are the key properties of N-[2-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylpropan-2-amine?
N-[2-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylpropan-2-amine has a molecular weight of 243.42 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylpropan-2-amine is sourced from PubChem (CID 136948792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).