N-methyl-N-[2-[[4-(2-methylpropyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]butan-2-amine

C14H29N3S — CID 136999800

IUPACN-methyl-N-[2-[[4-(2-methylpropyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]butan-2-amine
SMILESCCC(C)N(C)CC/N=C1/NC(CC(C)C)CS1
InChIInChI=1S/C14H29N3S/c1-6-12(4)17(5)8-7-15-14-16-13(10-18-14)9-11(2)3/h11-13H,6-10H2,1-5H3,(H,15,16)
InChIKeyJQNABYXQTJJBRA-UHFFFAOYSA-N
MW271.47 g/mol
LogP2.82
Rot. Bonds7

About N-methyl-N-[2-[[4-(2-methylpropyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]butan-2-amine

N-methyl-N-[2-[[4-(2-methylpropyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]butan-2-amine (PubChem CID 136999800) has the molecular formula C14H29N3S and a molecular weight of 271.47 g/mol. Its IUPAC name is N-methyl-N-[2-[[4-(2-methylpropyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]butan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[[4-(2-methylpropyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]butan-2-amine
PubChem CID136999800
Molecular FormulaC14H29N3S
Molecular Weight271.47 g/mol
Exact Mass271.21
IUPAC NameN-methyl-N-[2-[[4-(2-methylpropyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]butan-2-amine
SMILESCCC(C)N(C)CC/N=C1/NC(CC(C)C)CS1
InChIInChI=1S/C14H29N3S/c1-6-12(4)17(5)8-7-15-14-16-13(10-18-14)9-11(2)3/h11-13H,6-10H2,1-5H3,(H,15,16)
InChIKeyJQNABYXQTJJBRA-UHFFFAOYSA-N
XLogP2.82
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 52.82
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-methyl-N-[2-[[4-(2-methylpropyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]butan-2-amine?
The IUPAC name of N-methyl-N-[2-[[4-(2-methylpropyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]butan-2-amine (CID 136999800) is N-methyl-N-[2-[[4-(2-methylpropyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]butan-2-amine.
What is the SMILES notation for N-methyl-N-[2-[[4-(2-methylpropyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]butan-2-amine?
The canonical SMILES for N-methyl-N-[2-[[4-(2-methylpropyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]butan-2-amine is CCC(C)N(C)CC/N=C1/NC(CC(C)C)CS1.
What is the InChIKey of N-methyl-N-[2-[[4-(2-methylpropyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]butan-2-amine?
The InChIKey is JQNABYXQTJJBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3S/c1-6-12(4)17(5)8-7-15-14-16-13(10-18-14)9-11(2)3/h11-13H,6-10H2,1-5H3,(H,15,16).
What are the key properties of N-methyl-N-[2-[[4-(2-methylpropyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]butan-2-amine?
N-methyl-N-[2-[[4-(2-methylpropyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]butan-2-amine has a molecular weight of 271.47 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[4-(2-methylpropyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]butan-2-amine is sourced from PubChem (CID 136999800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).