1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1,3-thiazolidine

C28H60N4S — CID 159748327

IUPAC1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1,3-thiazolidine
SMILESCC(C)N1CCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCSC1
InChIInChI=1S/2C8H17N.C6H13NS.C6H13N/c2*1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-7/h2*8H,3-7H2,1-2H3;6H,3-5H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyNDIHSNHOMSBIJG-UHFFFAOYSA-N
MW484.88 g/mol
LogP6.26
Rot. Bonds4

About 1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1,3-thiazolidine

1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1,3-thiazolidine (PubChem CID 159748327) has the molecular formula C28H60N4S and a molecular weight of 484.88 g/mol. Its IUPAC name is 1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1,3-thiazolidine.

Molecular Properties

Compound Name1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1,3-thiazolidine
PubChem CID159748327
Molecular FormulaC28H60N4S
Molecular Weight484.88 g/mol
Exact Mass484.45
IUPAC Name1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1,3-thiazolidine
SMILESCC(C)N1CCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCSC1
InChIInChI=1S/2C8H17N.C6H13NS.C6H13N/c2*1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-7/h2*8H,3-7H2,1-2H3;6H,3-5H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyNDIHSNHOMSBIJG-UHFFFAOYSA-N
XLogP6.26
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.88
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1,3-thiazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167622043
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
ethane;formic acid;3-propan-2-yl-1,3-thiazolidine
CID 169177266
ethene;1-propan-2-ylpiperidine
CID 177325228
ethane;1-propan-2-ylpyrrolidine
CID 167557798
propan-2-amine;1-propan-2-ylpiperidine
CID 142245197
methoxymethane;1-propan-2-ylazepane
CID 178173420
methoxymethane;1-propan-2-ylpiperidine
CID 153352735
fluoroform;1-propan-2-ylpyrrolidine
CID 169177583
N,N-dimethylmethanamine;1-propan-2-ylpyrrolidine
CID 177158830
1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
CID 170616932

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1,3-thiazolidine?
The IUPAC name of 1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1,3-thiazolidine (CID 159748327) is 1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1,3-thiazolidine.
What is the SMILES notation for 1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1,3-thiazolidine?
The canonical SMILES for 1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1,3-thiazolidine is CC(C)N1CCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCSC1.
What is the InChIKey of 1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1,3-thiazolidine?
The InChIKey is NDIHSNHOMSBIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H17N.C6H13NS.C6H13N/c2*1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-7/h2*8H,3-7H2,1-2H3;6H,3-5H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1,3-thiazolidine?
1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1,3-thiazolidine has a molecular weight of 484.88 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1,3-thiazolidine is sourced from PubChem (CID 159748327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).