N-[(2Z,5Z)-3-methyl-4-methylideneocta-2,5,7-trien-2-yl]propan-2-imine

C13H19N — CID 90903761

IUPACN-[(2Z,5Z)-3-methyl-4-methylideneocta-2,5,7-trien-2-yl]propan-2-imine
SMILESC=C/C=C\C(=C)/C(C)=C(\C)N=C(C)C
InChIInChI=1S/C13H19N/c1-7-8-9-11(4)12(5)13(6)14-10(2)3/h7-9H,1,4H2,2-3,5-6H3/b9-8-,13-12-
InChIKeyOZSKITYHJXLMAK-OZKAYXIQSA-N
MW189.30 g/mol
LogP4.06
Rot. Bonds4

About N-[(2Z,5Z)-3-methyl-4-methylideneocta-2,5,7-trien-2-yl]propan-2-imine

N-[(2Z,5Z)-3-methyl-4-methylideneocta-2,5,7-trien-2-yl]propan-2-imine (PubChem CID 90903761) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[(2Z,5Z)-3-methyl-4-methylideneocta-2,5,7-trien-2-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(2Z,5Z)-3-methyl-4-methylideneocta-2,5,7-trien-2-yl]propan-2-imine
PubChem CID90903761
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[(2Z,5Z)-3-methyl-4-methylideneocta-2,5,7-trien-2-yl]propan-2-imine
SMILESC=C/C=C\C(=C)/C(C)=C(\C)N=C(C)C
InChIInChI=1S/C13H19N/c1-7-8-9-11(4)12(5)13(6)14-10(2)3/h7-9H,1,4H2,2-3,5-6H3/b9-8-,13-12-
InChIKeyOZSKITYHJXLMAK-OZKAYXIQSA-N
XLogP4.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 54.06
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-[(2Z,5Z)-3-methyl-4-methylideneocta-2,5,7-trien-2-yl]propan-2-imine?
The IUPAC name of N-[(2Z,5Z)-3-methyl-4-methylideneocta-2,5,7-trien-2-yl]propan-2-imine (CID 90903761) is N-[(2Z,5Z)-3-methyl-4-methylideneocta-2,5,7-trien-2-yl]propan-2-imine.
What is the SMILES notation for N-[(2Z,5Z)-3-methyl-4-methylideneocta-2,5,7-trien-2-yl]propan-2-imine?
The canonical SMILES for N-[(2Z,5Z)-3-methyl-4-methylideneocta-2,5,7-trien-2-yl]propan-2-imine is C=C/C=C\C(=C)/C(C)=C(\C)N=C(C)C.
What is the InChIKey of N-[(2Z,5Z)-3-methyl-4-methylideneocta-2,5,7-trien-2-yl]propan-2-imine?
The InChIKey is OZSKITYHJXLMAK-OZKAYXIQSA-N. The full InChI is InChI=1S/C13H19N/c1-7-8-9-11(4)12(5)13(6)14-10(2)3/h7-9H,1,4H2,2-3,5-6H3/b9-8-,13-12-.
What are the key properties of N-[(2Z,5Z)-3-methyl-4-methylideneocta-2,5,7-trien-2-yl]propan-2-imine?
N-[(2Z,5Z)-3-methyl-4-methylideneocta-2,5,7-trien-2-yl]propan-2-imine has a molecular weight of 189.30 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,5Z)-3-methyl-4-methylideneocta-2,5,7-trien-2-yl]propan-2-imine is sourced from PubChem (CID 90903761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).