N,2-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline

C15H19N — CID 144646652

IUPACN,2-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline
SMILESC=C/C=C(\C(=C)C)N(C)c1ccccc1C
InChIInChI=1S/C15H19N/c1-6-9-14(12(2)3)16(5)15-11-8-7-10-13(15)4/h6-11H,1-2H2,3-5H3/b14-9+
InChIKeyAZCMKVXSLLQTRW-NTEUORMPSA-N
MW213.32 g/mol
LogP4.08
Rot. Bonds4

About N,2-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline

N,2-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline (PubChem CID 144646652) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is N,2-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline.

Molecular Properties

Compound NameN,2-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline
PubChem CID144646652
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC NameN,2-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline
SMILESC=C/C=C(\C(=C)C)N(C)c1ccccc1C
InChIInChI=1S/C15H19N/c1-6-9-14(12(2)3)16(5)15-11-8-7-10-13(15)4/h6-11H,1-2H2,3-5H3/b14-9+
InChIKeyAZCMKVXSLLQTRW-NTEUORMPSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
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 N,2-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline?
The IUPAC name of N,2-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline (CID 144646652) is N,2-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline.
What is the SMILES notation for N,2-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline?
The canonical SMILES for N,2-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline is C=C/C=C(\C(=C)C)N(C)c1ccccc1C.
What is the InChIKey of N,2-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline?
The InChIKey is AZCMKVXSLLQTRW-NTEUORMPSA-N. The full InChI is InChI=1S/C15H19N/c1-6-9-14(12(2)3)16(5)15-11-8-7-10-13(15)4/h6-11H,1-2H2,3-5H3/b14-9+.
What are the key properties of N,2-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline?
N,2-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline has a molecular weight of 213.32 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline is sourced from PubChem (CID 144646652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).