N-methyl-N-[(E)-[(2E,5Z)-5-methylocta-2,5-dien-4-ylidene]amino]ethanamine

C12H22N2 — CID 170059170

IUPACN-methyl-N-[(E)-[(2E,5Z)-5-methylocta-2,5-dien-4-ylidene]amino]ethanamine
SMILESC/C=C/C(=N\N(C)CC)/C(C)=C\CC
InChIInChI=1S/C12H22N2/c1-6-9-11(4)12(10-7-2)13-14(5)8-3/h7,9-10H,6,8H2,1-5H3/b10-7+,11-9-,13-12+
InChIKeyPSYYKRALCDKWSZ-UYSFMZPQSA-N
MW194.32 g/mol
LogP3.23
Rot. Bonds5

About N-methyl-N-[(E)-[(2E,5Z)-5-methylocta-2,5-dien-4-ylidene]amino]ethanamine

N-methyl-N-[(E)-[(2E,5Z)-5-methylocta-2,5-dien-4-ylidene]amino]ethanamine (PubChem CID 170059170) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-methyl-N-[(E)-[(2E,5Z)-5-methylocta-2,5-dien-4-ylidene]amino]ethanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-[(2E,5Z)-5-methylocta-2,5-dien-4-ylidene]amino]ethanamine
PubChem CID170059170
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-methyl-N-[(E)-[(2E,5Z)-5-methylocta-2,5-dien-4-ylidene]amino]ethanamine
SMILESC/C=C/C(=N\N(C)CC)/C(C)=C\CC
InChIInChI=1S/C12H22N2/c1-6-9-11(4)12(10-7-2)13-14(5)8-3/h7,9-10H,6,8H2,1-5H3/b10-7+,11-9-,13-12+
InChIKeyPSYYKRALCDKWSZ-UYSFMZPQSA-N
XLogP3.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-[(2E,5Z)-5-methylocta-2,5-dien-4-ylidene]amino]ethanamine?
The IUPAC name of N-methyl-N-[(E)-[(2E,5Z)-5-methylocta-2,5-dien-4-ylidene]amino]ethanamine (CID 170059170) is N-methyl-N-[(E)-[(2E,5Z)-5-methylocta-2,5-dien-4-ylidene]amino]ethanamine.
What is the SMILES notation for N-methyl-N-[(E)-[(2E,5Z)-5-methylocta-2,5-dien-4-ylidene]amino]ethanamine?
The canonical SMILES for N-methyl-N-[(E)-[(2E,5Z)-5-methylocta-2,5-dien-4-ylidene]amino]ethanamine is C/C=C/C(=N\N(C)CC)/C(C)=C\CC.
What is the InChIKey of N-methyl-N-[(E)-[(2E,5Z)-5-methylocta-2,5-dien-4-ylidene]amino]ethanamine?
The InChIKey is PSYYKRALCDKWSZ-UYSFMZPQSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-9-11(4)12(10-7-2)13-14(5)8-3/h7,9-10H,6,8H2,1-5H3/b10-7+,11-9-,13-12+.
What are the key properties of N-methyl-N-[(E)-[(2E,5Z)-5-methylocta-2,5-dien-4-ylidene]amino]ethanamine?
N-methyl-N-[(E)-[(2E,5Z)-5-methylocta-2,5-dien-4-ylidene]amino]ethanamine has a molecular weight of 194.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-[(2E,5Z)-5-methylocta-2,5-dien-4-ylidene]amino]ethanamine is sourced from PubChem (CID 170059170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).