1-(2-butan-2-ylpyrrolidin-1-yl)-N-[(Z)-4-methylpent-2-en-2-yl]ethanimine

C16H30N2 — CID 170134468

IUPAC1-(2-butan-2-ylpyrrolidin-1-yl)-N-[(Z)-4-methylpent-2-en-2-yl]ethanimine
SMILESCCC(C)C1CCCN1/C(C)=N/C(C)=C\C(C)C
InChIInChI=1S/C16H30N2/c1-7-13(4)16-9-8-10-18(16)15(6)17-14(5)11-12(2)3/h11-13,16H,7-10H2,1-6H3/b14-11-,17-15+
InChIKeyIAMUOOHNVQWXHK-VIQSXYKDSA-N
MW250.43 g/mol
LogP4.48
Rot. Bonds4

About 1-(2-butan-2-ylpyrrolidin-1-yl)-N-[(Z)-4-methylpent-2-en-2-yl]ethanimine

1-(2-butan-2-ylpyrrolidin-1-yl)-N-[(Z)-4-methylpent-2-en-2-yl]ethanimine (PubChem CID 170134468) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(2-butan-2-ylpyrrolidin-1-yl)-N-[(Z)-4-methylpent-2-en-2-yl]ethanimine.

Molecular Properties

Compound Name1-(2-butan-2-ylpyrrolidin-1-yl)-N-[(Z)-4-methylpent-2-en-2-yl]ethanimine
PubChem CID170134468
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-(2-butan-2-ylpyrrolidin-1-yl)-N-[(Z)-4-methylpent-2-en-2-yl]ethanimine
SMILESCCC(C)C1CCCN1/C(C)=N/C(C)=C\C(C)C
InChIInChI=1S/C16H30N2/c1-7-13(4)16-9-8-10-18(16)15(6)17-14(5)11-12(2)3/h11-13,16H,7-10H2,1-6H3/b14-11-,17-15+
InChIKeyIAMUOOHNVQWXHK-VIQSXYKDSA-N
XLogP4.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylpyrrolidin-1-yl)-N-[(Z)-4-methylpent-2-en-2-yl]ethanimine?
The IUPAC name of 1-(2-butan-2-ylpyrrolidin-1-yl)-N-[(Z)-4-methylpent-2-en-2-yl]ethanimine (CID 170134468) is 1-(2-butan-2-ylpyrrolidin-1-yl)-N-[(Z)-4-methylpent-2-en-2-yl]ethanimine.
What is the SMILES notation for 1-(2-butan-2-ylpyrrolidin-1-yl)-N-[(Z)-4-methylpent-2-en-2-yl]ethanimine?
The canonical SMILES for 1-(2-butan-2-ylpyrrolidin-1-yl)-N-[(Z)-4-methylpent-2-en-2-yl]ethanimine is CCC(C)C1CCCN1/C(C)=N/C(C)=C\C(C)C.
What is the InChIKey of 1-(2-butan-2-ylpyrrolidin-1-yl)-N-[(Z)-4-methylpent-2-en-2-yl]ethanimine?
The InChIKey is IAMUOOHNVQWXHK-VIQSXYKDSA-N. The full InChI is InChI=1S/C16H30N2/c1-7-13(4)16-9-8-10-18(16)15(6)17-14(5)11-12(2)3/h11-13,16H,7-10H2,1-6H3/b14-11-,17-15+.
What are the key properties of 1-(2-butan-2-ylpyrrolidin-1-yl)-N-[(Z)-4-methylpent-2-en-2-yl]ethanimine?
1-(2-butan-2-ylpyrrolidin-1-yl)-N-[(Z)-4-methylpent-2-en-2-yl]ethanimine has a molecular weight of 250.43 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylpyrrolidin-1-yl)-N-[(Z)-4-methylpent-2-en-2-yl]ethanimine is sourced from PubChem (CID 170134468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).