(E,2S,4S)-2-ethyl-4-methyl-6-prop-2-enylnon-7-en-1-imine

C15H27N — CID 155323692

IUPAC(E,2S,4S)-2-ethyl-4-methyl-6-prop-2-enylnon-7-en-1-imine
SMILES[H]/N=C/[C@@H](CC)C[C@@H](C)CC(/C=C/C)CC=C
InChIInChI=1S/C15H27N/c1-5-8-15(9-6-2)11-13(4)10-14(7-3)12-16/h5-6,9,12-16H,1,7-8,10-11H2,2-4H3/b9-6+,16-12+/t13-,14+,15?/m1/s1
InChIKeyXNINDLJUDSGMPO-COZIEBMHSA-N
MW221.39 g/mol
LogP4.85
Rot. Bonds9

About (E,2S,4S)-2-ethyl-4-methyl-6-prop-2-enylnon-7-en-1-imine

(E,2S,4S)-2-ethyl-4-methyl-6-prop-2-enylnon-7-en-1-imine (PubChem CID 155323692) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (E,2S,4S)-2-ethyl-4-methyl-6-prop-2-enylnon-7-en-1-imine.

Molecular Properties

Compound Name(E,2S,4S)-2-ethyl-4-methyl-6-prop-2-enylnon-7-en-1-imine
PubChem CID155323692
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(E,2S,4S)-2-ethyl-4-methyl-6-prop-2-enylnon-7-en-1-imine
SMILES[H]/N=C/[C@@H](CC)C[C@@H](C)CC(/C=C/C)CC=C
InChIInChI=1S/C15H27N/c1-5-8-15(9-6-2)11-13(4)10-14(7-3)12-16/h5-6,9,12-16H,1,7-8,10-11H2,2-4H3/b9-6+,16-12+/t13-,14+,15?/m1/s1
InChIKeyXNINDLJUDSGMPO-COZIEBMHSA-N
XLogP4.85
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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,2S,4S)-2-ethyl-4-methyl-6-prop-2-enylnon-7-en-1-imine?
The IUPAC name of (E,2S,4S)-2-ethyl-4-methyl-6-prop-2-enylnon-7-en-1-imine (CID 155323692) is (E,2S,4S)-2-ethyl-4-methyl-6-prop-2-enylnon-7-en-1-imine.
What is the SMILES notation for (E,2S,4S)-2-ethyl-4-methyl-6-prop-2-enylnon-7-en-1-imine?
The canonical SMILES for (E,2S,4S)-2-ethyl-4-methyl-6-prop-2-enylnon-7-en-1-imine is [H]/N=C/[C@@H](CC)C[C@@H](C)CC(/C=C/C)CC=C.
What is the InChIKey of (E,2S,4S)-2-ethyl-4-methyl-6-prop-2-enylnon-7-en-1-imine?
The InChIKey is XNINDLJUDSGMPO-COZIEBMHSA-N. The full InChI is InChI=1S/C15H27N/c1-5-8-15(9-6-2)11-13(4)10-14(7-3)12-16/h5-6,9,12-16H,1,7-8,10-11H2,2-4H3/b9-6+,16-12+/t13-,14+,15?/m1/s1.
What are the key properties of (E,2S,4S)-2-ethyl-4-methyl-6-prop-2-enylnon-7-en-1-imine?
(E,2S,4S)-2-ethyl-4-methyl-6-prop-2-enylnon-7-en-1-imine has a molecular weight of 221.39 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,4S)-2-ethyl-4-methyl-6-prop-2-enylnon-7-en-1-imine is sourced from PubChem (CID 155323692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).