N-ethyl-N-[(3E)-hexa-1,3-dien-2-yl]-3-methylaniline

C15H21N — CID 146424410

IUPACN-ethyl-N-[(3E)-hexa-1,3-dien-2-yl]-3-methylaniline
SMILESC=C(/C=C/CC)N(CC)c1cccc(C)c1
InChIInChI=1S/C15H21N/c1-5-7-10-14(4)16(6-2)15-11-8-9-13(3)12-15/h7-12H,4-6H2,1-3H3/b10-7+
InChIKeyGCPMVDJOACMTSK-JXMROGBWSA-N
MW215.34 g/mol
LogP4.30
Rot. Bonds5

About N-ethyl-N-[(3E)-hexa-1,3-dien-2-yl]-3-methylaniline

N-ethyl-N-[(3E)-hexa-1,3-dien-2-yl]-3-methylaniline (PubChem CID 146424410) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-ethyl-N-[(3E)-hexa-1,3-dien-2-yl]-3-methylaniline.

Molecular Properties

Compound NameN-ethyl-N-[(3E)-hexa-1,3-dien-2-yl]-3-methylaniline
PubChem CID146424410
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-ethyl-N-[(3E)-hexa-1,3-dien-2-yl]-3-methylaniline
SMILESC=C(/C=C/CC)N(CC)c1cccc(C)c1
InChIInChI=1S/C15H21N/c1-5-7-10-14(4)16(6-2)15-11-8-9-13(3)12-15/h7-12H,4-6H2,1-3H3/b10-7+
InChIKeyGCPMVDJOACMTSK-JXMROGBWSA-N
XLogP4.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide
CID 533177
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
1-ethyl-1-(3-methylphenyl)-3-phenylthiourea
CID 115577646
(2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide
CID 22690792
2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide
CID 79805432
3-(3,5-dimethylphenyl)-1-ethyl-1-(3-methylphenyl)thiourea
CID 71821656
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
potassium 3-(N-ethyl-3-methylanilino)prop-1-en-2-yl-trifluoroboranuide
CID 106745772
N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
CID 107023760
2-bromo-N-ethyl-N-(3-methylphenyl)butanamide
CID 25219729

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3E)-hexa-1,3-dien-2-yl]-3-methylaniline?
The IUPAC name of N-ethyl-N-[(3E)-hexa-1,3-dien-2-yl]-3-methylaniline (CID 146424410) is N-ethyl-N-[(3E)-hexa-1,3-dien-2-yl]-3-methylaniline.
What is the SMILES notation for N-ethyl-N-[(3E)-hexa-1,3-dien-2-yl]-3-methylaniline?
The canonical SMILES for N-ethyl-N-[(3E)-hexa-1,3-dien-2-yl]-3-methylaniline is C=C(/C=C/CC)N(CC)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-[(3E)-hexa-1,3-dien-2-yl]-3-methylaniline?
The InChIKey is GCPMVDJOACMTSK-JXMROGBWSA-N. The full InChI is InChI=1S/C15H21N/c1-5-7-10-14(4)16(6-2)15-11-8-9-13(3)12-15/h7-12H,4-6H2,1-3H3/b10-7+.
What are the key properties of N-ethyl-N-[(3E)-hexa-1,3-dien-2-yl]-3-methylaniline?
N-ethyl-N-[(3E)-hexa-1,3-dien-2-yl]-3-methylaniline has a molecular weight of 215.34 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3E)-hexa-1,3-dien-2-yl]-3-methylaniline is sourced from PubChem (CID 146424410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).