1-N,3-N-di(cyclohexen-1-yl)-4,6-diethyl-2-methylbenzene-1,3-diamine

C23H34N2 — CID 90911021

IUPAC1-N,3-N-di(cyclohexen-1-yl)-4,6-diethyl-2-methylbenzene-1,3-diamine
SMILESCCc1cc(CC)c(NC2=CCCCC2)c(C)c1NC1=CCCCC1
InChIInChI=1S/C23H34N2/c1-4-18-16-19(5-2)23(25-21-14-10-7-11-15-21)17(3)22(18)24-20-12-8-6-9-13-20/h12,14,16,24-25H,4-11,13,15H2,1-3H3
InChIKeyDJZQCARFFPQWKQ-UHFFFAOYSA-N
MW338.54 g/mol
LogP6.86
Rot. Bonds6

About 1-N,3-N-di(cyclohexen-1-yl)-4,6-diethyl-2-methylbenzene-1,3-diamine

1-N,3-N-di(cyclohexen-1-yl)-4,6-diethyl-2-methylbenzene-1,3-diamine (PubChem CID 90911021) has the molecular formula C23H34N2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 1-N,3-N-di(cyclohexen-1-yl)-4,6-diethyl-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-di(cyclohexen-1-yl)-4,6-diethyl-2-methylbenzene-1,3-diamine
PubChem CID90911021
Molecular FormulaC23H34N2
Molecular Weight338.54 g/mol
Exact Mass338.27
IUPAC Name1-N,3-N-di(cyclohexen-1-yl)-4,6-diethyl-2-methylbenzene-1,3-diamine
SMILESCCc1cc(CC)c(NC2=CCCCC2)c(C)c1NC1=CCCCC1
InChIInChI=1S/C23H34N2/c1-4-18-16-19(5-2)23(25-21-14-10-7-11-15-21)17(3)22(18)24-20-12-8-6-9-13-20/h12,14,16,24-25H,4-11,13,15H2,1-3H3
InChIKeyDJZQCARFFPQWKQ-UHFFFAOYSA-N
XLogP6.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-di(cyclohexen-1-yl)-4,6-diethyl-2-methylbenzene-1,3-diamine?
The IUPAC name of 1-N,3-N-di(cyclohexen-1-yl)-4,6-diethyl-2-methylbenzene-1,3-diamine (CID 90911021) is 1-N,3-N-di(cyclohexen-1-yl)-4,6-diethyl-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-di(cyclohexen-1-yl)-4,6-diethyl-2-methylbenzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-di(cyclohexen-1-yl)-4,6-diethyl-2-methylbenzene-1,3-diamine is CCc1cc(CC)c(NC2=CCCCC2)c(C)c1NC1=CCCCC1.
What is the InChIKey of 1-N,3-N-di(cyclohexen-1-yl)-4,6-diethyl-2-methylbenzene-1,3-diamine?
The InChIKey is DJZQCARFFPQWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2/c1-4-18-16-19(5-2)23(25-21-14-10-7-11-15-21)17(3)22(18)24-20-12-8-6-9-13-20/h12,14,16,24-25H,4-11,13,15H2,1-3H3.
What are the key properties of 1-N,3-N-di(cyclohexen-1-yl)-4,6-diethyl-2-methylbenzene-1,3-diamine?
1-N,3-N-di(cyclohexen-1-yl)-4,6-diethyl-2-methylbenzene-1,3-diamine has a molecular weight of 338.54 g/mol, XLogP of 6.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-di(cyclohexen-1-yl)-4,6-diethyl-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 90911021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).