ethane;4-methyl-N-[(Z)-2-(methyliminomethyl)pent-2-enyl]aniline

C16H26N2 — CID 168878311

IUPACethane;4-methyl-N-[(Z)-2-(methyliminomethyl)pent-2-enyl]aniline
SMILESCC.CC/C=C(\C=N\C)CNc1ccc(C)cc1
InChIInChI=1S/C14H20N2.C2H6/c1-4-5-13(10-15-3)11-16-14-8-6-12(2)7-9-14;1-2/h5-10,16H,4,11H2,1-3H3;1-2H3/b13-5+,15-10+;
InChIKeyPANYKVKLEUUPQR-KUVOYXACSA-N
MW246.40 g/mol
LogP4.47
Rot. Bonds5

About ethane;4-methyl-N-[(Z)-2-(methyliminomethyl)pent-2-enyl]aniline

ethane;4-methyl-N-[(Z)-2-(methyliminomethyl)pent-2-enyl]aniline (PubChem CID 168878311) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is ethane;4-methyl-N-[(Z)-2-(methyliminomethyl)pent-2-enyl]aniline.

Molecular Properties

Compound Nameethane;4-methyl-N-[(Z)-2-(methyliminomethyl)pent-2-enyl]aniline
PubChem CID168878311
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Nameethane;4-methyl-N-[(Z)-2-(methyliminomethyl)pent-2-enyl]aniline
SMILESCC.CC/C=C(\C=N\C)CNc1ccc(C)cc1
InChIInChI=1S/C14H20N2.C2H6/c1-4-5-13(10-15-3)11-16-14-8-6-12(2)7-9-14;1-2/h5-10,16H,4,11H2,1-3H3;1-2H3/b13-5+,15-10+;
InChIKeyPANYKVKLEUUPQR-KUVOYXACSA-N
XLogP4.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Solvent Yellow 34
CID 10298
N-ethyl-3-methylaniline
CID 7603
4,4'-Methylenebis(N-methylaniline)
CID 15735
Benzenamine, 4,4'-carbonimidoylbis(N,N-diethyl-, hydrochloride (1:1)
CID 80679
Benzenamine, N-ethyl-2-methyl-
CID 7201
4-Amino-4'-(N,N-dimethylamino)stilbene
CID 5376919
N-benzyl-4-methylaniline
CID 79403
4-Diethylaminobenzaldoxime (mixture of isomers)
CID 6876690
N-Ethyl-p-toluidine
CID 61164
N,N-diethyl-p-toluidine
CID 69177
p-(Dimethylamino)benzaldehyde oxime
CID 6861449
Benzenamine, 4,4'-methylenebis[N-(1-methylpropyl)-
CID 110640

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-N-[(Z)-2-(methyliminomethyl)pent-2-enyl]aniline?
The IUPAC name of ethane;4-methyl-N-[(Z)-2-(methyliminomethyl)pent-2-enyl]aniline (CID 168878311) is ethane;4-methyl-N-[(Z)-2-(methyliminomethyl)pent-2-enyl]aniline.
What is the SMILES notation for ethane;4-methyl-N-[(Z)-2-(methyliminomethyl)pent-2-enyl]aniline?
The canonical SMILES for ethane;4-methyl-N-[(Z)-2-(methyliminomethyl)pent-2-enyl]aniline is CC.CC/C=C(\C=N\C)CNc1ccc(C)cc1.
What is the InChIKey of ethane;4-methyl-N-[(Z)-2-(methyliminomethyl)pent-2-enyl]aniline?
The InChIKey is PANYKVKLEUUPQR-KUVOYXACSA-N. The full InChI is InChI=1S/C14H20N2.C2H6/c1-4-5-13(10-15-3)11-16-14-8-6-12(2)7-9-14;1-2/h5-10,16H,4,11H2,1-3H3;1-2H3/b13-5+,15-10+;.
What are the key properties of ethane;4-methyl-N-[(Z)-2-(methyliminomethyl)pent-2-enyl]aniline?
ethane;4-methyl-N-[(Z)-2-(methyliminomethyl)pent-2-enyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-N-[(Z)-2-(methyliminomethyl)pent-2-enyl]aniline is sourced from PubChem (CID 168878311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).