N-[1-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]propan-2-yl]-N-methylcyclopropanamine

C12H23N3S — CID 136666975

IUPACN-[1-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]propan-2-yl]-N-methylcyclopropanamine
SMILESCC(C/N=C1/NC(C)(C)CS1)N(C)C1CC1
InChIInChI=1S/C12H23N3S/c1-9(15(4)10-5-6-10)7-13-11-14-12(2,3)8-16-11/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyPZVJMXNXBYSYII-UHFFFAOYSA-N
MW241.40 g/mol
LogP1.94
Rot. Bonds4

About N-[1-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]propan-2-yl]-N-methylcyclopropanamine

N-[1-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]propan-2-yl]-N-methylcyclopropanamine (PubChem CID 136666975) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N-[1-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]propan-2-yl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[1-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]propan-2-yl]-N-methylcyclopropanamine
PubChem CID136666975
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN-[1-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]propan-2-yl]-N-methylcyclopropanamine
SMILESCC(C/N=C1/NC(C)(C)CS1)N(C)C1CC1
InChIInChI=1S/C12H23N3S/c1-9(15(4)10-5-6-10)7-13-11-14-12(2,3)8-16-11/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyPZVJMXNXBYSYII-UHFFFAOYSA-N
XLogP1.94
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]propan-2-yl]-N-methylcyclopropanamine?
The IUPAC name of N-[1-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]propan-2-yl]-N-methylcyclopropanamine (CID 136666975) is N-[1-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]propan-2-yl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[1-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]propan-2-yl]-N-methylcyclopropanamine?
The canonical SMILES for N-[1-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]propan-2-yl]-N-methylcyclopropanamine is CC(C/N=C1/NC(C)(C)CS1)N(C)C1CC1.
What is the InChIKey of N-[1-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]propan-2-yl]-N-methylcyclopropanamine?
The InChIKey is PZVJMXNXBYSYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-9(15(4)10-5-6-10)7-13-11-14-12(2,3)8-16-11/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of N-[1-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]propan-2-yl]-N-methylcyclopropanamine?
N-[1-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]propan-2-yl]-N-methylcyclopropanamine has a molecular weight of 241.40 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]propan-2-yl]-N-methylcyclopropanamine is sourced from PubChem (CID 136666975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).