N-methyl-2-(3-methylbut-3-en-2-ylideneamino)-5-[(3Z)-penta-1,3-dien-2-yl]cyclopent-2-en-1-amine

C16H24N2 — CID 167310522

IUPACN-methyl-2-(3-methylbut-3-en-2-ylideneamino)-5-[(3Z)-penta-1,3-dien-2-yl]cyclopent-2-en-1-amine
SMILESC=C(C)/C(C)=N/C1=CCC(C(=C)/C=C\C)C1NC
InChIInChI=1S/C16H24N2/c1-7-8-12(4)14-9-10-15(16(14)17-6)18-13(5)11(2)3/h7-8,10,14,16-17H,2,4,9H2,1,3,5-6H3/b8-7-,18-13+
InChIKeyMXOHUZOTIWJLIF-NVQDTVFLSA-N
MW244.38 g/mol
LogP3.65
Rot. Bonds5

About N-methyl-2-(3-methylbut-3-en-2-ylideneamino)-5-[(3Z)-penta-1,3-dien-2-yl]cyclopent-2-en-1-amine

N-methyl-2-(3-methylbut-3-en-2-ylideneamino)-5-[(3Z)-penta-1,3-dien-2-yl]cyclopent-2-en-1-amine (PubChem CID 167310522) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-methyl-2-(3-methylbut-3-en-2-ylideneamino)-5-[(3Z)-penta-1,3-dien-2-yl]cyclopent-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-(3-methylbut-3-en-2-ylideneamino)-5-[(3Z)-penta-1,3-dien-2-yl]cyclopent-2-en-1-amine
PubChem CID167310522
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-methyl-2-(3-methylbut-3-en-2-ylideneamino)-5-[(3Z)-penta-1,3-dien-2-yl]cyclopent-2-en-1-amine
SMILESC=C(C)/C(C)=N/C1=CCC(C(=C)/C=C\C)C1NC
InChIInChI=1S/C16H24N2/c1-7-8-12(4)14-9-10-15(16(14)17-6)18-13(5)11(2)3/h7-8,10,14,16-17H,2,4,9H2,1,3,5-6H3/b8-7-,18-13+
InChIKeyMXOHUZOTIWJLIF-NVQDTVFLSA-N
XLogP3.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-2-(3-methylbut-3-en-2-ylideneamino)-5-[(3Z)-penta-1,3-dien-2-yl]cyclopent-2-en-1-amine?
The IUPAC name of N-methyl-2-(3-methylbut-3-en-2-ylideneamino)-5-[(3Z)-penta-1,3-dien-2-yl]cyclopent-2-en-1-amine (CID 167310522) is N-methyl-2-(3-methylbut-3-en-2-ylideneamino)-5-[(3Z)-penta-1,3-dien-2-yl]cyclopent-2-en-1-amine.
What is the SMILES notation for N-methyl-2-(3-methylbut-3-en-2-ylideneamino)-5-[(3Z)-penta-1,3-dien-2-yl]cyclopent-2-en-1-amine?
The canonical SMILES for N-methyl-2-(3-methylbut-3-en-2-ylideneamino)-5-[(3Z)-penta-1,3-dien-2-yl]cyclopent-2-en-1-amine is C=C(C)/C(C)=N/C1=CCC(C(=C)/C=C\C)C1NC.
What is the InChIKey of N-methyl-2-(3-methylbut-3-en-2-ylideneamino)-5-[(3Z)-penta-1,3-dien-2-yl]cyclopent-2-en-1-amine?
The InChIKey is MXOHUZOTIWJLIF-NVQDTVFLSA-N. The full InChI is InChI=1S/C16H24N2/c1-7-8-12(4)14-9-10-15(16(14)17-6)18-13(5)11(2)3/h7-8,10,14,16-17H,2,4,9H2,1,3,5-6H3/b8-7-,18-13+.
What are the key properties of N-methyl-2-(3-methylbut-3-en-2-ylideneamino)-5-[(3Z)-penta-1,3-dien-2-yl]cyclopent-2-en-1-amine?
N-methyl-2-(3-methylbut-3-en-2-ylideneamino)-5-[(3Z)-penta-1,3-dien-2-yl]cyclopent-2-en-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylbut-3-en-2-ylideneamino)-5-[(3Z)-penta-1,3-dien-2-yl]cyclopent-2-en-1-amine is sourced from PubChem (CID 167310522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).