N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-N-(4-methylhex-1-en-3-yl)-4-phenylaniline

C27H33N — CID 143494349

IUPACN-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-N-(4-methylhex-1-en-3-yl)-4-phenylaniline
SMILESC=CC(C(C)CC)N(C1=CC=C(C)C(C)C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H33N/c1-6-20(3)27(7-2)28(26-16-13-21(4)22(5)19-26)25-17-14-24(15-18-25)23-11-9-8-10-12-23/h7-18,20,22,27H,2,6,19H2,1,3-5H3
InChIKeyGUBUNMUIOAQDCZ-UHFFFAOYSA-N
MW371.57 g/mol
LogP7.63
Rot. Bonds7

About N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-N-(4-methylhex-1-en-3-yl)-4-phenylaniline

N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-N-(4-methylhex-1-en-3-yl)-4-phenylaniline (PubChem CID 143494349) has the molecular formula C27H33N and a molecular weight of 371.57 g/mol. Its IUPAC name is N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-N-(4-methylhex-1-en-3-yl)-4-phenylaniline.

Molecular Properties

Compound NameN-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-N-(4-methylhex-1-en-3-yl)-4-phenylaniline
PubChem CID143494349
Molecular FormulaC27H33N
Molecular Weight371.57 g/mol
Exact Mass371.26
IUPAC NameN-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-N-(4-methylhex-1-en-3-yl)-4-phenylaniline
SMILESC=CC(C(C)CC)N(C1=CC=C(C)C(C)C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H33N/c1-6-20(3)27(7-2)28(26-16-13-21(4)22(5)19-26)25-17-14-24(15-18-25)23-11-9-8-10-12-23/h7-18,20,22,27H,2,6,19H2,1,3-5H3
InChIKeyGUBUNMUIOAQDCZ-UHFFFAOYSA-N
XLogP7.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-N-(4-methylhex-1-en-3-yl)-4-phenylaniline?
The IUPAC name of N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-N-(4-methylhex-1-en-3-yl)-4-phenylaniline (CID 143494349) is N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-N-(4-methylhex-1-en-3-yl)-4-phenylaniline.
What is the SMILES notation for N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-N-(4-methylhex-1-en-3-yl)-4-phenylaniline?
The canonical SMILES for N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-N-(4-methylhex-1-en-3-yl)-4-phenylaniline is C=CC(C(C)CC)N(C1=CC=C(C)C(C)C1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-N-(4-methylhex-1-en-3-yl)-4-phenylaniline?
The InChIKey is GUBUNMUIOAQDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N/c1-6-20(3)27(7-2)28(26-16-13-21(4)22(5)19-26)25-17-14-24(15-18-25)23-11-9-8-10-12-23/h7-18,20,22,27H,2,6,19H2,1,3-5H3.
What are the key properties of N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-N-(4-methylhex-1-en-3-yl)-4-phenylaniline?
N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-N-(4-methylhex-1-en-3-yl)-4-phenylaniline has a molecular weight of 371.57 g/mol, XLogP of 7.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-N-(4-methylhex-1-en-3-yl)-4-phenylaniline is sourced from PubChem (CID 143494349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).