N-[4-(4,4-dimethylcyclohexyl)phenyl]-N,4-dimethylaniline

C22H29N — CID 138456770

IUPACN-[4-(4,4-dimethylcyclohexyl)phenyl]-N,4-dimethylaniline
SMILESCc1ccc(N(C)c2ccc(C3CCC(C)(C)CC3)cc2)cc1
InChIInChI=1S/C22H29N/c1-17-5-9-20(10-6-17)23(4)21-11-7-18(8-12-21)19-13-15-22(2,3)16-14-19/h5-12,19H,13-16H2,1-4H3
InChIKeyXEDTZSQWZMFXRH-UHFFFAOYSA-N
MW307.48 g/mol
LogP6.45
Rot. Bonds3

About N-[4-(4,4-dimethylcyclohexyl)phenyl]-N,4-dimethylaniline

N-[4-(4,4-dimethylcyclohexyl)phenyl]-N,4-dimethylaniline (PubChem CID 138456770) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is N-[4-(4,4-dimethylcyclohexyl)phenyl]-N,4-dimethylaniline.

Molecular Properties

Compound NameN-[4-(4,4-dimethylcyclohexyl)phenyl]-N,4-dimethylaniline
PubChem CID138456770
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC NameN-[4-(4,4-dimethylcyclohexyl)phenyl]-N,4-dimethylaniline
SMILESCc1ccc(N(C)c2ccc(C3CCC(C)(C)CC3)cc2)cc1
InChIInChI=1S/C22H29N/c1-17-5-9-20(10-6-17)23(4)21-11-7-18(8-12-21)19-13-15-22(2,3)16-14-19/h5-12,19H,13-16H2,1-4H3
InChIKeyXEDTZSQWZMFXRH-UHFFFAOYSA-N
XLogP6.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,4-dimethylcyclohexyl)phenyl]-N,4-dimethylaniline?
The IUPAC name of N-[4-(4,4-dimethylcyclohexyl)phenyl]-N,4-dimethylaniline (CID 138456770) is N-[4-(4,4-dimethylcyclohexyl)phenyl]-N,4-dimethylaniline.
What is the SMILES notation for N-[4-(4,4-dimethylcyclohexyl)phenyl]-N,4-dimethylaniline?
The canonical SMILES for N-[4-(4,4-dimethylcyclohexyl)phenyl]-N,4-dimethylaniline is Cc1ccc(N(C)c2ccc(C3CCC(C)(C)CC3)cc2)cc1.
What is the InChIKey of N-[4-(4,4-dimethylcyclohexyl)phenyl]-N,4-dimethylaniline?
The InChIKey is XEDTZSQWZMFXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N/c1-17-5-9-20(10-6-17)23(4)21-11-7-18(8-12-21)19-13-15-22(2,3)16-14-19/h5-12,19H,13-16H2,1-4H3.
What are the key properties of N-[4-(4,4-dimethylcyclohexyl)phenyl]-N,4-dimethylaniline?
N-[4-(4,4-dimethylcyclohexyl)phenyl]-N,4-dimethylaniline has a molecular weight of 307.48 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,4-dimethylcyclohexyl)phenyl]-N,4-dimethylaniline is sourced from PubChem (CID 138456770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).