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

C11H22N2 — CID 178170754

IUPAC(E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine
SMILESCCN(CC)/C(C)=C(C)/C(C)=N/C
InChIInChI=1S/C11H22N2/c1-7-13(8-2)11(5)9(3)10(4)12-6/h7-8H2,1-6H3/b11-9+,12-10+
InChIKeyRRDGSQKGMFZVFU-WGDLNXRISA-N
MW182.31 g/mol
LogP2.71
Rot. Bonds4

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

(E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine (PubChem CID 178170754) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine
PubChem CID178170754
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine
SMILESCCN(CC)/C(C)=C(C)/C(C)=N/C
InChIInChI=1S/C11H22N2/c1-7-13(8-2)11(5)9(3)10(4)12-6/h7-8H2,1-6H3/b11-9+,12-10+
InChIKeyRRDGSQKGMFZVFU-WGDLNXRISA-N
XLogP2.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.71
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

N,N,3-trimethyl-4-methyliminopent-2-en-2-amine
CID 57587526
[(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium
CID 58939582
N-ethyl-3,4-dimethylpent-3-en-2-imine
CID 59576226
(Z)-N-ethyl-3,4-dimethylhex-3-en-2-imine
CID 59921684
CID 69907556
CID 69907556
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-butylimino-1-cyclopropylidene-N,N-diethylbutan-1-amine
CID 123250661
3,4-Dimethylpent-3-en-2-ylidene-ethyl-methylazanium
CID 123560519
(Z)-4-ethylimino-3-methylpent-2-en-2-amine
CID 132246404
(Z)-2-N,3-dimethyl-4-N-methylidenepent-3-ene-2,4-diimine;ethane
CID 142025962

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine?
The IUPAC name of (E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine (CID 178170754) is (E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine.
What is the SMILES notation for (E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine?
The canonical SMILES for (E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine is 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?
The InChIKey is RRDGSQKGMFZVFU-WGDLNXRISA-N. The full InChI is InChI=1S/C11H22N2/c1-7-13(8-2)11(5)9(3)10(4)12-6/h7-8H2,1-6H3/b11-9+,12-10+.
What are the key properties of (E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine?
(E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine has a molecular weight of 182.31 g/mol, XLogP of 2.71, 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 is sourced from PubChem (CID 178170754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).