1-N-ethyl-4-N-(4-propan-2-ylcyclohexyl)benzene-1,4-diamine

C17H28N2 — CID 163863356

IUPAC1-N-ethyl-4-N-(4-propan-2-ylcyclohexyl)benzene-1,4-diamine
SMILESCCNc1ccc(NC2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C17H28N2/c1-4-18-15-9-11-17(12-10-15)19-16-7-5-14(6-8-16)13(2)3/h9-14,16,18-19H,4-8H2,1-3H3
InChIKeyPEMMORFRVAZGQU-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.75
Rot. Bonds5

About 1-N-ethyl-4-N-(4-propan-2-ylcyclohexyl)benzene-1,4-diamine

1-N-ethyl-4-N-(4-propan-2-ylcyclohexyl)benzene-1,4-diamine (PubChem CID 163863356) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-N-ethyl-4-N-(4-propan-2-ylcyclohexyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-N-(4-propan-2-ylcyclohexyl)benzene-1,4-diamine
PubChem CID163863356
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-N-ethyl-4-N-(4-propan-2-ylcyclohexyl)benzene-1,4-diamine
SMILESCCNc1ccc(NC2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C17H28N2/c1-4-18-15-9-11-17(12-10-15)19-16-7-5-14(6-8-16)13(2)3/h9-14,16,18-19H,4-8H2,1-3H3
InChIKeyPEMMORFRVAZGQU-UHFFFAOYSA-N
XLogP4.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-N-(4-propan-2-ylcyclohexyl)benzene-1,4-diamine?
The IUPAC name of 1-N-ethyl-4-N-(4-propan-2-ylcyclohexyl)benzene-1,4-diamine (CID 163863356) is 1-N-ethyl-4-N-(4-propan-2-ylcyclohexyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-4-N-(4-propan-2-ylcyclohexyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-ethyl-4-N-(4-propan-2-ylcyclohexyl)benzene-1,4-diamine is CCNc1ccc(NC2CCC(C(C)C)CC2)cc1.
What is the InChIKey of 1-N-ethyl-4-N-(4-propan-2-ylcyclohexyl)benzene-1,4-diamine?
The InChIKey is PEMMORFRVAZGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-18-15-9-11-17(12-10-15)19-16-7-5-14(6-8-16)13(2)3/h9-14,16,18-19H,4-8H2,1-3H3.
What are the key properties of 1-N-ethyl-4-N-(4-propan-2-ylcyclohexyl)benzene-1,4-diamine?
1-N-ethyl-4-N-(4-propan-2-ylcyclohexyl)benzene-1,4-diamine has a molecular weight of 260.43 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-N-(4-propan-2-ylcyclohexyl)benzene-1,4-diamine is sourced from PubChem (CID 163863356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).