N-[(3Z,4E)-3-ethylidene-2,8-dimethyl-4-prop-1-en-2-yldeca-1,4-dien-5-yl]propan-2-imine

C20H33N — CID 155015041

IUPACN-[(3Z,4E)-3-ethylidene-2,8-dimethyl-4-prop-1-en-2-yldeca-1,4-dien-5-yl]propan-2-imine
SMILESC=C(C)C(=C(CCC(C)CC)N=C(C)C)/C(=C\C)C(=C)C
InChIInChI=1S/C20H33N/c1-10-17(9)12-13-19(21-16(7)8)20(15(5)6)18(11-2)14(3)4/h11,17H,3,5,10,12-13H2,1-2,4,6-9H3/b18-11-,20-19+
InChIKeyPDJPUJPRFYVNCV-HMIIHMJCSA-N
MW287.49 g/mol
LogP6.65
Rot. Bonds8

About N-[(3Z,4E)-3-ethylidene-2,8-dimethyl-4-prop-1-en-2-yldeca-1,4-dien-5-yl]propan-2-imine

N-[(3Z,4E)-3-ethylidene-2,8-dimethyl-4-prop-1-en-2-yldeca-1,4-dien-5-yl]propan-2-imine (PubChem CID 155015041) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[(3Z,4E)-3-ethylidene-2,8-dimethyl-4-prop-1-en-2-yldeca-1,4-dien-5-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(3Z,4E)-3-ethylidene-2,8-dimethyl-4-prop-1-en-2-yldeca-1,4-dien-5-yl]propan-2-imine
PubChem CID155015041
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[(3Z,4E)-3-ethylidene-2,8-dimethyl-4-prop-1-en-2-yldeca-1,4-dien-5-yl]propan-2-imine
SMILESC=C(C)C(=C(CCC(C)CC)N=C(C)C)/C(=C\C)C(=C)C
InChIInChI=1S/C20H33N/c1-10-17(9)12-13-19(21-16(7)8)20(15(5)6)18(11-2)14(3)4/h11,17H,3,5,10,12-13H2,1-2,4,6-9H3/b18-11-,20-19+
InChIKeyPDJPUJPRFYVNCV-HMIIHMJCSA-N
XLogP6.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 N-[(3Z,4E)-3-ethylidene-2,8-dimethyl-4-prop-1-en-2-yldeca-1,4-dien-5-yl]propan-2-imine?
The IUPAC name of N-[(3Z,4E)-3-ethylidene-2,8-dimethyl-4-prop-1-en-2-yldeca-1,4-dien-5-yl]propan-2-imine (CID 155015041) is N-[(3Z,4E)-3-ethylidene-2,8-dimethyl-4-prop-1-en-2-yldeca-1,4-dien-5-yl]propan-2-imine.
What is the SMILES notation for N-[(3Z,4E)-3-ethylidene-2,8-dimethyl-4-prop-1-en-2-yldeca-1,4-dien-5-yl]propan-2-imine?
The canonical SMILES for N-[(3Z,4E)-3-ethylidene-2,8-dimethyl-4-prop-1-en-2-yldeca-1,4-dien-5-yl]propan-2-imine is C=C(C)C(=C(CCC(C)CC)N=C(C)C)/C(=C\C)C(=C)C.
What is the InChIKey of N-[(3Z,4E)-3-ethylidene-2,8-dimethyl-4-prop-1-en-2-yldeca-1,4-dien-5-yl]propan-2-imine?
The InChIKey is PDJPUJPRFYVNCV-HMIIHMJCSA-N. The full InChI is InChI=1S/C20H33N/c1-10-17(9)12-13-19(21-16(7)8)20(15(5)6)18(11-2)14(3)4/h11,17H,3,5,10,12-13H2,1-2,4,6-9H3/b18-11-,20-19+.
What are the key properties of N-[(3Z,4E)-3-ethylidene-2,8-dimethyl-4-prop-1-en-2-yldeca-1,4-dien-5-yl]propan-2-imine?
N-[(3Z,4E)-3-ethylidene-2,8-dimethyl-4-prop-1-en-2-yldeca-1,4-dien-5-yl]propan-2-imine has a molecular weight of 287.49 g/mol, XLogP of 6.65, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,4E)-3-ethylidene-2,8-dimethyl-4-prop-1-en-2-yldeca-1,4-dien-5-yl]propan-2-imine is sourced from PubChem (CID 155015041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).