3-N,4-N,5-N-tripropyl-2H-pyran-3,4,5-triamine

C14H27N3O — CID 23374280

IUPAC3-N,4-N,5-N-tripropyl-2H-pyran-3,4,5-triamine
SMILESCCCNC1=COCC(NCCC)=C1NCCC
InChIInChI=1S/C14H27N3O/c1-4-7-15-12-10-18-11-13(16-8-5-2)14(12)17-9-6-3/h10,15-17H,4-9,11H2,1-3H3
InChIKeyGTFUHBSTTLJHNA-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.07
Rot. Bonds9

About 3-N,4-N,5-N-tripropyl-2H-pyran-3,4,5-triamine

3-N,4-N,5-N-tripropyl-2H-pyran-3,4,5-triamine (PubChem CID 23374280) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-N,4-N,5-N-tripropyl-2H-pyran-3,4,5-triamine.

Molecular Properties

Compound Name3-N,4-N,5-N-tripropyl-2H-pyran-3,4,5-triamine
PubChem CID23374280
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-N,4-N,5-N-tripropyl-2H-pyran-3,4,5-triamine
SMILESCCCNC1=COCC(NCCC)=C1NCCC
InChIInChI=1S/C14H27N3O/c1-4-7-15-12-10-18-11-13(16-8-5-2)14(12)17-9-6-3/h10,15-17H,4-9,11H2,1-3H3
InChIKeyGTFUHBSTTLJHNA-UHFFFAOYSA-N
XLogP2.07
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N,4-N,5-N-tripropyl-2H-pyran-3,4,5-triamine?
The IUPAC name of 3-N,4-N,5-N-tripropyl-2H-pyran-3,4,5-triamine (CID 23374280) is 3-N,4-N,5-N-tripropyl-2H-pyran-3,4,5-triamine.
What is the SMILES notation for 3-N,4-N,5-N-tripropyl-2H-pyran-3,4,5-triamine?
The canonical SMILES for 3-N,4-N,5-N-tripropyl-2H-pyran-3,4,5-triamine is CCCNC1=COCC(NCCC)=C1NCCC.
What is the InChIKey of 3-N,4-N,5-N-tripropyl-2H-pyran-3,4,5-triamine?
The InChIKey is GTFUHBSTTLJHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-7-15-12-10-18-11-13(16-8-5-2)14(12)17-9-6-3/h10,15-17H,4-9,11H2,1-3H3.
What are the key properties of 3-N,4-N,5-N-tripropyl-2H-pyran-3,4,5-triamine?
3-N,4-N,5-N-tripropyl-2H-pyran-3,4,5-triamine has a molecular weight of 253.39 g/mol, XLogP of 2.07, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N,5-N-tripropyl-2H-pyran-3,4,5-triamine is sourced from PubChem (CID 23374280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).