3-N,3-N-dicyclohexyl-4,6-dipropylbenzene-1,3-diamine

C24H40N2 — CID 91176522

IUPAC3-N,3-N-dicyclohexyl-4,6-dipropylbenzene-1,3-diamine
SMILESCCCc1cc(CCC)c(N(C2CCCCC2)C2CCCCC2)cc1N
InChIInChI=1S/C24H40N2/c1-3-11-19-17-20(12-4-2)24(18-23(19)25)26(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h17-18,21-22H,3-16,25H2,1-2H3
InChIKeyMGRIAEPYBWSLNX-UHFFFAOYSA-N
MW356.60 g/mol
LogP6.65
Rot. Bonds7

About 3-N,3-N-dicyclohexyl-4,6-dipropylbenzene-1,3-diamine

3-N,3-N-dicyclohexyl-4,6-dipropylbenzene-1,3-diamine (PubChem CID 91176522) has the molecular formula C24H40N2 and a molecular weight of 356.60 g/mol. Its IUPAC name is 3-N,3-N-dicyclohexyl-4,6-dipropylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dicyclohexyl-4,6-dipropylbenzene-1,3-diamine
PubChem CID91176522
Molecular FormulaC24H40N2
Molecular Weight356.60 g/mol
Exact Mass356.32
IUPAC Name3-N,3-N-dicyclohexyl-4,6-dipropylbenzene-1,3-diamine
SMILESCCCc1cc(CCC)c(N(C2CCCCC2)C2CCCCC2)cc1N
InChIInChI=1S/C24H40N2/c1-3-11-19-17-20(12-4-2)24(18-23(19)25)26(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h17-18,21-22H,3-16,25H2,1-2H3
InChIKeyMGRIAEPYBWSLNX-UHFFFAOYSA-N
XLogP6.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.60
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dicyclohexyl-4,6-dipropylbenzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dicyclohexyl-4,6-dipropylbenzene-1,3-diamine (CID 91176522) is 3-N,3-N-dicyclohexyl-4,6-dipropylbenzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dicyclohexyl-4,6-dipropylbenzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dicyclohexyl-4,6-dipropylbenzene-1,3-diamine is CCCc1cc(CCC)c(N(C2CCCCC2)C2CCCCC2)cc1N.
What is the InChIKey of 3-N,3-N-dicyclohexyl-4,6-dipropylbenzene-1,3-diamine?
The InChIKey is MGRIAEPYBWSLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2/c1-3-11-19-17-20(12-4-2)24(18-23(19)25)26(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h17-18,21-22H,3-16,25H2,1-2H3.
What are the key properties of 3-N,3-N-dicyclohexyl-4,6-dipropylbenzene-1,3-diamine?
3-N,3-N-dicyclohexyl-4,6-dipropylbenzene-1,3-diamine has a molecular weight of 356.60 g/mol, XLogP of 6.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dicyclohexyl-4,6-dipropylbenzene-1,3-diamine is sourced from PubChem (CID 91176522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).