(E)-2-ethyl-N,N-dimethyl-5-(propylideneamino)pent-3-en-1-amine

C12H24N2 — CID 154973458

IUPAC(E)-2-ethyl-N,N-dimethyl-5-(propylideneamino)pent-3-en-1-amine
SMILESCC/C=N/C/C=C/C(CC)CN(C)C
InChIInChI=1S/C12H24N2/c1-5-9-13-10-7-8-12(6-2)11-14(3)4/h7-9,12H,5-6,10-11H2,1-4H3/b8-7+,13-9+
InChIKeyDXMIEJDFDACUGP-NJHPPEEMSA-N
MW196.34 g/mol
LogP2.61
Rot. Bonds7

About (E)-2-ethyl-N,N-dimethyl-5-(propylideneamino)pent-3-en-1-amine

(E)-2-ethyl-N,N-dimethyl-5-(propylideneamino)pent-3-en-1-amine (PubChem CID 154973458) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (E)-2-ethyl-N,N-dimethyl-5-(propylideneamino)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethyl-N,N-dimethyl-5-(propylideneamino)pent-3-en-1-amine
PubChem CID154973458
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(E)-2-ethyl-N,N-dimethyl-5-(propylideneamino)pent-3-en-1-amine
SMILESCC/C=N/C/C=C/C(CC)CN(C)C
InChIInChI=1S/C12H24N2/c1-5-9-13-10-7-8-12(6-2)11-14(3)4/h7-9,12H,5-6,10-11H2,1-4H3/b8-7+,13-9+
InChIKeyDXMIEJDFDACUGP-NJHPPEEMSA-N
XLogP2.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-N,N-dimethyl-5-(propylideneamino)pent-3-en-1-amine?
The IUPAC name of (E)-2-ethyl-N,N-dimethyl-5-(propylideneamino)pent-3-en-1-amine (CID 154973458) is (E)-2-ethyl-N,N-dimethyl-5-(propylideneamino)pent-3-en-1-amine.
What is the SMILES notation for (E)-2-ethyl-N,N-dimethyl-5-(propylideneamino)pent-3-en-1-amine?
The canonical SMILES for (E)-2-ethyl-N,N-dimethyl-5-(propylideneamino)pent-3-en-1-amine is CC/C=N/C/C=C/C(CC)CN(C)C.
What is the InChIKey of (E)-2-ethyl-N,N-dimethyl-5-(propylideneamino)pent-3-en-1-amine?
The InChIKey is DXMIEJDFDACUGP-NJHPPEEMSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-9-13-10-7-8-12(6-2)11-14(3)4/h7-9,12H,5-6,10-11H2,1-4H3/b8-7+,13-9+.
What are the key properties of (E)-2-ethyl-N,N-dimethyl-5-(propylideneamino)pent-3-en-1-amine?
(E)-2-ethyl-N,N-dimethyl-5-(propylideneamino)pent-3-en-1-amine has a molecular weight of 196.34 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-N,N-dimethyl-5-(propylideneamino)pent-3-en-1-amine is sourced from PubChem (CID 154973458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).