3-N,3-N,4-N,4-N-tetrabutyl-2H-pyran-3,4-diamine

C21H40N2O — CID 23374292

IUPAC3-N,3-N,4-N,4-N-tetrabutyl-2H-pyran-3,4-diamine
SMILESCCCCN(CCCC)C1=C(N(CCCC)CCCC)COC=C1
InChIInChI=1S/C21H40N2O/c1-5-9-14-22(15-10-6-2)20-13-18-24-19-21(20)23(16-11-7-3)17-12-8-4/h13,18H,5-12,14-17,19H2,1-4H3
InChIKeyRDXXUXJUXOORNX-UHFFFAOYSA-N
MW336.56 g/mol
LogP5.55
Rot. Bonds14

About 3-N,3-N,4-N,4-N-tetrabutyl-2H-pyran-3,4-diamine

3-N,3-N,4-N,4-N-tetrabutyl-2H-pyran-3,4-diamine (PubChem CID 23374292) has the molecular formula C21H40N2O and a molecular weight of 336.56 g/mol. Its IUPAC name is 3-N,3-N,4-N,4-N-tetrabutyl-2H-pyran-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N,4-N,4-N-tetrabutyl-2H-pyran-3,4-diamine
PubChem CID23374292
Molecular FormulaC21H40N2O
Molecular Weight336.56 g/mol
Exact Mass336.31
IUPAC Name3-N,3-N,4-N,4-N-tetrabutyl-2H-pyran-3,4-diamine
SMILESCCCCN(CCCC)C1=C(N(CCCC)CCCC)COC=C1
InChIInChI=1S/C21H40N2O/c1-5-9-14-22(15-10-6-2)20-13-18-24-19-21(20)23(16-11-7-3)17-12-8-4/h13,18H,5-12,14-17,19H2,1-4H3
InChIKeyRDXXUXJUXOORNX-UHFFFAOYSA-N
XLogP5.55
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,3-N,4-N,4-N,5-N,5-N-hexabutyl-2H-pyran-3,4,5-triamine
CID 23374283
ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine
CID 142241416
5,6-Bis(ethenyl)-4-methyl-2,3-dihydro-1,4-oxazine;ethane
CID 143157636
5,6-Bis(ethenyl)-4-ethyl-2,3-dihydro-1,4-oxazine;ethane
CID 144557215
2-ethyl-4-methyl-5,6-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine
CID 155261991
5,6-Bis(ethenyl)-2,4-dimethyl-2,3-dihydro-1,4-oxazine;ethane
CID 155717285
5,6-Bis(ethenyl)-4-ethyl-2,3-dihydro-1,4-oxazine;ethane
CID 156800499
N,N-dipropyl-2H-pyran-3-amine
CID 173143953
N-methyl-N-propyl-2H-pyran-3-amine
CID 173144124
N-butyl-N-methyl-2H-pyran-3-amine
CID 173144236
N-butyl-N-ethyl-2H-pyran-3-amine
CID 173144240
N,N-dibutyl-2H-pyran-3-amine
CID 173144248

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-N,4-N-tetrabutyl-2H-pyran-3,4-diamine?
The IUPAC name of 3-N,3-N,4-N,4-N-tetrabutyl-2H-pyran-3,4-diamine (CID 23374292) is 3-N,3-N,4-N,4-N-tetrabutyl-2H-pyran-3,4-diamine.
What is the SMILES notation for 3-N,3-N,4-N,4-N-tetrabutyl-2H-pyran-3,4-diamine?
The canonical SMILES for 3-N,3-N,4-N,4-N-tetrabutyl-2H-pyran-3,4-diamine is CCCCN(CCCC)C1=C(N(CCCC)CCCC)COC=C1.
What is the InChIKey of 3-N,3-N,4-N,4-N-tetrabutyl-2H-pyran-3,4-diamine?
The InChIKey is RDXXUXJUXOORNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O/c1-5-9-14-22(15-10-6-2)20-13-18-24-19-21(20)23(16-11-7-3)17-12-8-4/h13,18H,5-12,14-17,19H2,1-4H3.
What are the key properties of 3-N,3-N,4-N,4-N-tetrabutyl-2H-pyran-3,4-diamine?
3-N,3-N,4-N,4-N-tetrabutyl-2H-pyran-3,4-diamine has a molecular weight of 336.56 g/mol, XLogP of 5.55, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-N,4-N-tetrabutyl-2H-pyran-3,4-diamine is sourced from PubChem (CID 23374292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).