N-[(Z)-ethylideneamino]-N-[1-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)ethenyl]prop-1-en-2-amine

C16H24N2 — CID 129090141

IUPACN-[(Z)-ethylideneamino]-N-[1-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)ethenyl]prop-1-en-2-amine
SMILESC=C(C)N(/N=C\C)C(=C)C1=C(C)C(C)C(C)=C1C
InChIInChI=1S/C16H24N2/c1-9-17-18(10(2)3)15(8)16-13(6)11(4)12(5)14(16)7/h9,11H,2,8H2,1,3-7H3/b17-9-
InChIKeyOZNUMCKKTHPJBL-MFOYZWKCSA-N
MW244.38 g/mol
LogP4.64
Rot. Bonds4

About N-[(Z)-ethylideneamino]-N-[1-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)ethenyl]prop-1-en-2-amine

N-[(Z)-ethylideneamino]-N-[1-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)ethenyl]prop-1-en-2-amine (PubChem CID 129090141) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[(Z)-ethylideneamino]-N-[1-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)ethenyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[(Z)-ethylideneamino]-N-[1-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)ethenyl]prop-1-en-2-amine
PubChem CID129090141
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-[(Z)-ethylideneamino]-N-[1-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)ethenyl]prop-1-en-2-amine
SMILESC=C(C)N(/N=C\C)C(=C)C1=C(C)C(C)C(C)=C1C
InChIInChI=1S/C16H24N2/c1-9-17-18(10(2)3)15(8)16-13(6)11(4)12(5)14(16)7/h9,11H,2,8H2,1,3-7H3/b17-9-
InChIKeyOZNUMCKKTHPJBL-MFOYZWKCSA-N
XLogP4.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-ethylideneamino]-N-[1-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)ethenyl]prop-1-en-2-amine?
The IUPAC name of N-[(Z)-ethylideneamino]-N-[1-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)ethenyl]prop-1-en-2-amine (CID 129090141) is N-[(Z)-ethylideneamino]-N-[1-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)ethenyl]prop-1-en-2-amine.
What is the SMILES notation for N-[(Z)-ethylideneamino]-N-[1-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)ethenyl]prop-1-en-2-amine?
The canonical SMILES for N-[(Z)-ethylideneamino]-N-[1-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)ethenyl]prop-1-en-2-amine is C=C(C)N(/N=C\C)C(=C)C1=C(C)C(C)C(C)=C1C.
What is the InChIKey of N-[(Z)-ethylideneamino]-N-[1-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)ethenyl]prop-1-en-2-amine?
The InChIKey is OZNUMCKKTHPJBL-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H24N2/c1-9-17-18(10(2)3)15(8)16-13(6)11(4)12(5)14(16)7/h9,11H,2,8H2,1,3-7H3/b17-9-.
What are the key properties of N-[(Z)-ethylideneamino]-N-[1-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)ethenyl]prop-1-en-2-amine?
N-[(Z)-ethylideneamino]-N-[1-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)ethenyl]prop-1-en-2-amine has a molecular weight of 244.38 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-ethylideneamino]-N-[1-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)ethenyl]prop-1-en-2-amine is sourced from PubChem (CID 129090141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).