(E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine;ethane

C15H34N2 — CID 178170753

IUPAC(E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine;ethane
SMILESCC.CC.CCN(CC)/C(C)=C(C)/C(C)=N/C
InChIInChI=1S/C11H22N2.2C2H6/c1-7-13(8-2)11(5)9(3)10(4)12-6;2*1-2/h7-8H2,1-6H3;2*1-2H3/b11-9+,12-10+;;
InChIKeyNEZNKXKLOKSLTA-JDDKLYJPSA-N
MW242.45 g/mol
LogP4.77
Rot. Bonds4

About (E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine;ethane

(E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine;ethane (PubChem CID 178170753) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine;ethane.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine;ethane
PubChem CID178170753
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name(E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine;ethane
SMILESCC.CC.CCN(CC)/C(C)=C(C)/C(C)=N/C
InChIInChI=1S/C11H22N2.2C2H6/c1-7-13(8-2)11(5)9(3)10(4)12-6;2*1-2/h7-8H2,1-6H3;2*1-2H3/b11-9+,12-10+;;
InChIKeyNEZNKXKLOKSLTA-JDDKLYJPSA-N
XLogP4.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,8,9,11,17-Hexamethyl-3,8,12,16,19,23-hexazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene
CID 57226205
N,N,3-trimethyl-4-methyliminopent-2-en-2-amine
CID 57587526
[(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium
CID 58939582
1,2,2,4,5,6-Hexamethylpyrimidine
CID 69907557
1,2,4,5,6-pentamethyl-2H-pyrimidine
CID 70522582
(Z)-N,3-dimethyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 90213447
3,4-Dimethylpent-3-en-2-ylidene-ethyl-methylazanium
CID 123560519
(Z)-2-N,3-dimethyl-4-N-methylidenepent-3-ene-2,4-diimine;ethane
CID 142025962
(9Z)-2,3,8,9,11,17-hexamethyl-3,8,12,16,19,23-hexazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene
CID 145807026
(Z)-4-imino-N,N,3-trimethylpent-2-en-2-amine
CID 152857393
(Z)-2-N-ethyl-3-methyl-4-N-methylidenepent-3-ene-2,4-diimine
CID 155282314
(Z)-N,N,3-trimethyl-4-methyliminopent-2-en-2-amine
CID 158684499

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine;ethane?
The IUPAC name of (E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine;ethane (CID 178170753) is (E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine;ethane.
What is the SMILES notation for (E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine;ethane?
The canonical SMILES for (E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine;ethane is CC.CC.CCN(CC)/C(C)=C(C)/C(C)=N/C.
What is the InChIKey of (E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine;ethane?
The InChIKey is NEZNKXKLOKSLTA-JDDKLYJPSA-N. The full InChI is InChI=1S/C11H22N2.2C2H6/c1-7-13(8-2)11(5)9(3)10(4)12-6;2*1-2/h7-8H2,1-6H3;2*1-2H3/b11-9+,12-10+;;.
What are the key properties of (E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine;ethane?
(E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine;ethane has a molecular weight of 242.45 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine;ethane is sourced from PubChem (CID 178170753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).