2-(4,4-dimethylpent-1-en-2-yl)-N-[(4Z)-2-methylhexa-2,4-dien-3-yl]aniline

C20H29N — CID 142847211

IUPAC2-(4,4-dimethylpent-1-en-2-yl)-N-[(4Z)-2-methylhexa-2,4-dien-3-yl]aniline
SMILESC=C(CC(C)(C)C)c1ccccc1NC(/C=C\C)=C(C)C
InChIInChI=1S/C20H29N/c1-8-11-18(15(2)3)21-19-13-10-9-12-17(19)16(4)14-20(5,6)7/h8-13,21H,4,14H2,1-3,5-7H3/b11-8-
InChIKeyAJBHKBCZRKQLNQ-FLIBITNWSA-N
MW283.46 g/mol
LogP6.42
Rot. Bonds5

About 2-(4,4-dimethylpent-1-en-2-yl)-N-[(4Z)-2-methylhexa-2,4-dien-3-yl]aniline

2-(4,4-dimethylpent-1-en-2-yl)-N-[(4Z)-2-methylhexa-2,4-dien-3-yl]aniline (PubChem CID 142847211) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(4,4-dimethylpent-1-en-2-yl)-N-[(4Z)-2-methylhexa-2,4-dien-3-yl]aniline.

Molecular Properties

Compound Name2-(4,4-dimethylpent-1-en-2-yl)-N-[(4Z)-2-methylhexa-2,4-dien-3-yl]aniline
PubChem CID142847211
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name2-(4,4-dimethylpent-1-en-2-yl)-N-[(4Z)-2-methylhexa-2,4-dien-3-yl]aniline
SMILESC=C(CC(C)(C)C)c1ccccc1NC(/C=C\C)=C(C)C
InChIInChI=1S/C20H29N/c1-8-11-18(15(2)3)21-19-13-10-9-12-17(19)16(4)14-20(5,6)7/h8-13,21H,4,14H2,1-3,5-7H3/b11-8-
InChIKeyAJBHKBCZRKQLNQ-FLIBITNWSA-N
XLogP6.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpent-1-en-2-yl)-N-[(4Z)-2-methylhexa-2,4-dien-3-yl]aniline?
The IUPAC name of 2-(4,4-dimethylpent-1-en-2-yl)-N-[(4Z)-2-methylhexa-2,4-dien-3-yl]aniline (CID 142847211) is 2-(4,4-dimethylpent-1-en-2-yl)-N-[(4Z)-2-methylhexa-2,4-dien-3-yl]aniline.
What is the SMILES notation for 2-(4,4-dimethylpent-1-en-2-yl)-N-[(4Z)-2-methylhexa-2,4-dien-3-yl]aniline?
The canonical SMILES for 2-(4,4-dimethylpent-1-en-2-yl)-N-[(4Z)-2-methylhexa-2,4-dien-3-yl]aniline is C=C(CC(C)(C)C)c1ccccc1NC(/C=C\C)=C(C)C.
What is the InChIKey of 2-(4,4-dimethylpent-1-en-2-yl)-N-[(4Z)-2-methylhexa-2,4-dien-3-yl]aniline?
The InChIKey is AJBHKBCZRKQLNQ-FLIBITNWSA-N. The full InChI is InChI=1S/C20H29N/c1-8-11-18(15(2)3)21-19-13-10-9-12-17(19)16(4)14-20(5,6)7/h8-13,21H,4,14H2,1-3,5-7H3/b11-8-.
What are the key properties of 2-(4,4-dimethylpent-1-en-2-yl)-N-[(4Z)-2-methylhexa-2,4-dien-3-yl]aniline?
2-(4,4-dimethylpent-1-en-2-yl)-N-[(4Z)-2-methylhexa-2,4-dien-3-yl]aniline has a molecular weight of 283.46 g/mol, XLogP of 6.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpent-1-en-2-yl)-N-[(4Z)-2-methylhexa-2,4-dien-3-yl]aniline is sourced from PubChem (CID 142847211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).