(Z)-N-methyl-3-prop-1-en-2-yloct-2-en-1-imine

C12H21N — CID 89322701

IUPAC(Z)-N-methyl-3-prop-1-en-2-yloct-2-en-1-imine
SMILESC=C(C)/C(=C\C=N\C)CCCCC
InChIInChI=1S/C12H21N/c1-5-6-7-8-12(11(2)3)9-10-13-4/h9-10H,2,5-8H2,1,3-4H3/b12-9-,13-10+
InChIKeyFHKOPAKMYPVMPN-TVRQEHKRSA-N
MW179.31 g/mol
LogP3.77
Rot. Bonds6

About (Z)-N-methyl-3-prop-1-en-2-yloct-2-en-1-imine

(Z)-N-methyl-3-prop-1-en-2-yloct-2-en-1-imine (PubChem CID 89322701) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (Z)-N-methyl-3-prop-1-en-2-yloct-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-methyl-3-prop-1-en-2-yloct-2-en-1-imine
PubChem CID89322701
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(Z)-N-methyl-3-prop-1-en-2-yloct-2-en-1-imine
SMILESC=C(C)/C(=C\C=N\C)CCCCC
InChIInChI=1S/C12H21N/c1-5-6-7-8-12(11(2)3)9-10-13-4/h9-10H,2,5-8H2,1,3-4H3/b12-9-,13-10+
InChIKeyFHKOPAKMYPVMPN-TVRQEHKRSA-N
XLogP3.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-3-prop-1-en-2-yloct-2-en-1-imine?
The IUPAC name of (Z)-N-methyl-3-prop-1-en-2-yloct-2-en-1-imine (CID 89322701) is (Z)-N-methyl-3-prop-1-en-2-yloct-2-en-1-imine.
What is the SMILES notation for (Z)-N-methyl-3-prop-1-en-2-yloct-2-en-1-imine?
The canonical SMILES for (Z)-N-methyl-3-prop-1-en-2-yloct-2-en-1-imine is C=C(C)/C(=C\C=N\C)CCCCC.
What is the InChIKey of (Z)-N-methyl-3-prop-1-en-2-yloct-2-en-1-imine?
The InChIKey is FHKOPAKMYPVMPN-TVRQEHKRSA-N. The full InChI is InChI=1S/C12H21N/c1-5-6-7-8-12(11(2)3)9-10-13-4/h9-10H,2,5-8H2,1,3-4H3/b12-9-,13-10+.
What are the key properties of (Z)-N-methyl-3-prop-1-en-2-yloct-2-en-1-imine?
(Z)-N-methyl-3-prop-1-en-2-yloct-2-en-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-3-prop-1-en-2-yloct-2-en-1-imine is sourced from PubChem (CID 89322701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).