(E)-N,2,5-trimethyl-4-methylimino-N-propylhex-2-en-1-amine

C13H26N2 — CID 166464768

IUPAC(E)-N,2,5-trimethyl-4-methylimino-N-propylhex-2-en-1-amine
SMILESCCCN(C)C/C(C)=C/C(=N/C)C(C)C
InChIInChI=1S/C13H26N2/c1-7-8-15(6)10-12(4)9-13(14-5)11(2)3/h9,11H,7-8,10H2,1-6H3/b12-9+,14-13-
InChIKeyNQTOBWAOUSTYJI-KQVVTMDQSA-N
MW210.36 g/mol
LogP3.00
Rot. Bonds6

About (E)-N,2,5-trimethyl-4-methylimino-N-propylhex-2-en-1-amine

(E)-N,2,5-trimethyl-4-methylimino-N-propylhex-2-en-1-amine (PubChem CID 166464768) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (E)-N,2,5-trimethyl-4-methylimino-N-propylhex-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,2,5-trimethyl-4-methylimino-N-propylhex-2-en-1-amine
PubChem CID166464768
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(E)-N,2,5-trimethyl-4-methylimino-N-propylhex-2-en-1-amine
SMILESCCCN(C)C/C(C)=C/C(=N/C)C(C)C
InChIInChI=1S/C13H26N2/c1-7-8-15(6)10-12(4)9-13(14-5)11(2)3/h9,11H,7-8,10H2,1-6H3/b12-9+,14-13-
InChIKeyNQTOBWAOUSTYJI-KQVVTMDQSA-N
XLogP3.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,2,5-trimethyl-4-methylimino-N-propylhex-2-en-1-amine?
The IUPAC name of (E)-N,2,5-trimethyl-4-methylimino-N-propylhex-2-en-1-amine (CID 166464768) is (E)-N,2,5-trimethyl-4-methylimino-N-propylhex-2-en-1-amine.
What is the SMILES notation for (E)-N,2,5-trimethyl-4-methylimino-N-propylhex-2-en-1-amine?
The canonical SMILES for (E)-N,2,5-trimethyl-4-methylimino-N-propylhex-2-en-1-amine is CCCN(C)C/C(C)=C/C(=N/C)C(C)C.
What is the InChIKey of (E)-N,2,5-trimethyl-4-methylimino-N-propylhex-2-en-1-amine?
The InChIKey is NQTOBWAOUSTYJI-KQVVTMDQSA-N. The full InChI is InChI=1S/C13H26N2/c1-7-8-15(6)10-12(4)9-13(14-5)11(2)3/h9,11H,7-8,10H2,1-6H3/b12-9+,14-13-.
What are the key properties of (E)-N,2,5-trimethyl-4-methylimino-N-propylhex-2-en-1-amine?
(E)-N,2,5-trimethyl-4-methylimino-N-propylhex-2-en-1-amine has a molecular weight of 210.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2,5-trimethyl-4-methylimino-N-propylhex-2-en-1-amine is sourced from PubChem (CID 166464768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).