1-N,3-N-dicyclohexyl-2-methyl-4-propylbenzene-1,3-diamine

C22H36N2 — CID 91374416

IUPAC1-N,3-N-dicyclohexyl-2-methyl-4-propylbenzene-1,3-diamine
SMILESCCCc1ccc(NC2CCCCC2)c(C)c1NC1CCCCC1
InChIInChI=1S/C22H36N2/c1-3-10-18-15-16-21(23-19-11-6-4-7-12-19)17(2)22(18)24-20-13-8-5-9-14-20/h15-16,19-20,23-24H,3-14H2,1-2H3
InChIKeyIQMVKTVJIIWBQT-UHFFFAOYSA-N
MW328.54 g/mol
LogP6.44
Rot. Bonds6

About 1-N,3-N-dicyclohexyl-2-methyl-4-propylbenzene-1,3-diamine

1-N,3-N-dicyclohexyl-2-methyl-4-propylbenzene-1,3-diamine (PubChem CID 91374416) has the molecular formula C22H36N2 and a molecular weight of 328.54 g/mol. Its IUPAC name is 1-N,3-N-dicyclohexyl-2-methyl-4-propylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-dicyclohexyl-2-methyl-4-propylbenzene-1,3-diamine
PubChem CID91374416
Molecular FormulaC22H36N2
Molecular Weight328.54 g/mol
Exact Mass328.29
IUPAC Name1-N,3-N-dicyclohexyl-2-methyl-4-propylbenzene-1,3-diamine
SMILESCCCc1ccc(NC2CCCCC2)c(C)c1NC1CCCCC1
InChIInChI=1S/C22H36N2/c1-3-10-18-15-16-21(23-19-11-6-4-7-12-19)17(2)22(18)24-20-13-8-5-9-14-20/h15-16,19-20,23-24H,3-14H2,1-2H3
InChIKeyIQMVKTVJIIWBQT-UHFFFAOYSA-N
XLogP6.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 56.44
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-dicyclohexyl-2-methyl-4-propylbenzene-1,3-diamine?
The IUPAC name of 1-N,3-N-dicyclohexyl-2-methyl-4-propylbenzene-1,3-diamine (CID 91374416) is 1-N,3-N-dicyclohexyl-2-methyl-4-propylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-dicyclohexyl-2-methyl-4-propylbenzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-dicyclohexyl-2-methyl-4-propylbenzene-1,3-diamine is CCCc1ccc(NC2CCCCC2)c(C)c1NC1CCCCC1.
What is the InChIKey of 1-N,3-N-dicyclohexyl-2-methyl-4-propylbenzene-1,3-diamine?
The InChIKey is IQMVKTVJIIWBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2/c1-3-10-18-15-16-21(23-19-11-6-4-7-12-19)17(2)22(18)24-20-13-8-5-9-14-20/h15-16,19-20,23-24H,3-14H2,1-2H3.
What are the key properties of 1-N,3-N-dicyclohexyl-2-methyl-4-propylbenzene-1,3-diamine?
1-N,3-N-dicyclohexyl-2-methyl-4-propylbenzene-1,3-diamine has a molecular weight of 328.54 g/mol, XLogP of 6.44, 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-dicyclohexyl-2-methyl-4-propylbenzene-1,3-diamine is sourced from PubChem (CID 91374416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).