1-N,2-N-diethyl-1-N,2-N-bis(2-methyloxolan-2-yl)benzene-1,2-diamine

C20H32N2O2 — CID 22457331

IUPAC1-N,2-N-diethyl-1-N,2-N-bis(2-methyloxolan-2-yl)benzene-1,2-diamine
SMILESCCN(c1ccccc1N(CC)C1(C)CCCO1)C1(C)CCCO1
InChIInChI=1S/C20H32N2O2/c1-5-21(19(3)13-9-15-23-19)17-11-7-8-12-18(17)22(6-2)20(4)14-10-16-24-20/h7-8,11-12H,5-6,9-10,13-16H2,1-4H3
InChIKeyOUGHHAFHUDDEGP-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.39
Rot. Bonds6

About 1-N,2-N-diethyl-1-N,2-N-bis(2-methyloxolan-2-yl)benzene-1,2-diamine

1-N,2-N-diethyl-1-N,2-N-bis(2-methyloxolan-2-yl)benzene-1,2-diamine (PubChem CID 22457331) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-N,2-N-diethyl-1-N,2-N-bis(2-methyloxolan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-diethyl-1-N,2-N-bis(2-methyloxolan-2-yl)benzene-1,2-diamine
PubChem CID22457331
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-N,2-N-diethyl-1-N,2-N-bis(2-methyloxolan-2-yl)benzene-1,2-diamine
SMILESCCN(c1ccccc1N(CC)C1(C)CCCO1)C1(C)CCCO1
InChIInChI=1S/C20H32N2O2/c1-5-21(19(3)13-9-15-23-19)17-11-7-8-12-18(17)22(6-2)20(4)14-10-16-24-20/h7-8,11-12H,5-6,9-10,13-16H2,1-4H3
InChIKeyOUGHHAFHUDDEGP-UHFFFAOYSA-N
XLogP4.39
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-diethyl-1-N,2-N-bis(2-methyloxolan-2-yl)benzene-1,2-diamine?
The IUPAC name of 1-N,2-N-diethyl-1-N,2-N-bis(2-methyloxolan-2-yl)benzene-1,2-diamine (CID 22457331) is 1-N,2-N-diethyl-1-N,2-N-bis(2-methyloxolan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-diethyl-1-N,2-N-bis(2-methyloxolan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-diethyl-1-N,2-N-bis(2-methyloxolan-2-yl)benzene-1,2-diamine is CCN(c1ccccc1N(CC)C1(C)CCCO1)C1(C)CCCO1.
What is the InChIKey of 1-N,2-N-diethyl-1-N,2-N-bis(2-methyloxolan-2-yl)benzene-1,2-diamine?
The InChIKey is OUGHHAFHUDDEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-5-21(19(3)13-9-15-23-19)17-11-7-8-12-18(17)22(6-2)20(4)14-10-16-24-20/h7-8,11-12H,5-6,9-10,13-16H2,1-4H3.
What are the key properties of 1-N,2-N-diethyl-1-N,2-N-bis(2-methyloxolan-2-yl)benzene-1,2-diamine?
1-N,2-N-diethyl-1-N,2-N-bis(2-methyloxolan-2-yl)benzene-1,2-diamine has a molecular weight of 332.49 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-diethyl-1-N,2-N-bis(2-methyloxolan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 22457331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).