(5Z)-2-methylidene-6-propylnona-5,8-dien-1-imine

C13H21N — CID 167108317

IUPAC(5Z)-2-methylidene-6-propylnona-5,8-dien-1-imine
SMILES[H]/N=C/C(=C)CC/C=C(\CC=C)CCC
InChIInChI=1S/C13H21N/c1-4-7-13(8-5-2)10-6-9-12(3)11-14/h4,10-11,14H,1,3,5-9H2,2H3/b13-10+,14-11+
InChIKeyZDGLCSTWRYYXPU-IFQMDVHZSA-N
MW191.32 g/mol
LogP4.27
Rot. Bonds8

About (5Z)-2-methylidene-6-propylnona-5,8-dien-1-imine

(5Z)-2-methylidene-6-propylnona-5,8-dien-1-imine (PubChem CID 167108317) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (5Z)-2-methylidene-6-propylnona-5,8-dien-1-imine.

Molecular Properties

Compound Name(5Z)-2-methylidene-6-propylnona-5,8-dien-1-imine
PubChem CID167108317
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(5Z)-2-methylidene-6-propylnona-5,8-dien-1-imine
SMILES[H]/N=C/C(=C)CC/C=C(\CC=C)CCC
InChIInChI=1S/C13H21N/c1-4-7-13(8-5-2)10-6-9-12(3)11-14/h4,10-11,14H,1,3,5-9H2,2H3/b13-10+,14-11+
InChIKeyZDGLCSTWRYYXPU-IFQMDVHZSA-N
XLogP4.27
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.27
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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Related Compounds

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CID 134903488
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CID 12841273
4-prop-2-enylocta-1,4-diene
CID 173317146
(2Z)-2-ethylidenepent-4-en-1-imine
CID 171644246
7-ethyl-3-methylidenenona-1,6-diene
CID 167443276
(4E)-8-methyl-4-prop-2-enylnona-4,8-dienal
CID 100952255
(2E,6E)-2,10-dimethyl-6-prop-2-enylundeca-2,6,10-trien-1-ol
CID 100952257
di(propan-2-yloxy)-[(1Z)-2-propylpenta-1,4-dienyl]borane
CID 11550447
(4Z)-4-(2-bromoethylidene)-8-methylnona-1,7-diene
CID 101195298
4-ethylidenedeca-1,7-diene
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CID 146336575

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-methylidene-6-propylnona-5,8-dien-1-imine?
The IUPAC name of (5Z)-2-methylidene-6-propylnona-5,8-dien-1-imine (CID 167108317) is (5Z)-2-methylidene-6-propylnona-5,8-dien-1-imine.
What is the SMILES notation for (5Z)-2-methylidene-6-propylnona-5,8-dien-1-imine?
The canonical SMILES for (5Z)-2-methylidene-6-propylnona-5,8-dien-1-imine is [H]/N=C/C(=C)CC/C=C(\CC=C)CCC.
What is the InChIKey of (5Z)-2-methylidene-6-propylnona-5,8-dien-1-imine?
The InChIKey is ZDGLCSTWRYYXPU-IFQMDVHZSA-N. The full InChI is InChI=1S/C13H21N/c1-4-7-13(8-5-2)10-6-9-12(3)11-14/h4,10-11,14H,1,3,5-9H2,2H3/b13-10+,14-11+.
What are the key properties of (5Z)-2-methylidene-6-propylnona-5,8-dien-1-imine?
(5Z)-2-methylidene-6-propylnona-5,8-dien-1-imine has a molecular weight of 191.32 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-methylidene-6-propylnona-5,8-dien-1-imine is sourced from PubChem (CID 167108317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).