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

C14H29N3S — CID 136871648

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine
SMILESCC(C)C1CS/C(=N\CCN(C(C)C)C(C)C)N1
InChIInChI=1S/C14H29N3S/c1-10(2)13-9-18-14(16-13)15-7-8-17(11(3)4)12(5)6/h10-13H,7-9H2,1-6H3,(H,15,16)
InChIKeyKPWCQXMNECSRQP-UHFFFAOYSA-N
MW271.47 g/mol
LogP2.82
Rot. Bonds6

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

N-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine (PubChem CID 136871648) has the molecular formula C14H29N3S and a molecular weight of 271.47 g/mol. Its IUPAC name is N-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine
PubChem CID136871648
Molecular FormulaC14H29N3S
Molecular Weight271.47 g/mol
Exact Mass271.21
IUPAC NameN-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine
SMILESCC(C)C1CS/C(=N\CCN(C(C)C)C(C)C)N1
InChIInChI=1S/C14H29N3S/c1-10(2)13-9-18-14(16-13)15-7-8-17(11(3)4)12(5)6/h10-13H,7-9H2,1-6H3,(H,15,16)
InChIKeyKPWCQXMNECSRQP-UHFFFAOYSA-N
XLogP2.82
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine?
The IUPAC name of N-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine (CID 136871648) is N-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine.
What is the SMILES notation for N-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine?
The canonical SMILES for N-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine is CC(C)C1CS/C(=N\CCN(C(C)C)C(C)C)N1.
What is the InChIKey of N-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine?
The InChIKey is KPWCQXMNECSRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3S/c1-10(2)13-9-18-14(16-13)15-7-8-17(11(3)4)12(5)6/h10-13H,7-9H2,1-6H3,(H,15,16).
What are the key properties of N-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine?
N-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine has a molecular weight of 271.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine is sourced from PubChem (CID 136871648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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