N-ethenyl-N-[1-(5-ethenyl-2,3-dimethyl-4-methylidene-1-pyridinyl)butan-2-yl]pentan-2-amine

C21H34N2 — CID 146239913

IUPACN-ethenyl-N-[1-(5-ethenyl-2,3-dimethyl-4-methylidene-1-pyridinyl)butan-2-yl]pentan-2-amine
SMILESC=CC1=CN(CC(CC)N(C=C)C(C)CCC)C(C)=C(C)C1=C
InChIInChI=1S/C21H34N2/c1-9-13-16(5)23(12-4)21(11-3)15-22-14-20(10-2)18(7)17(6)19(22)8/h10,12,14,16,21H,2,4,7,9,11,13,15H2,1,3,5-6,8H3
InChIKeyACBLHOIWUJXLRM-UHFFFAOYSA-N
MW314.52 g/mol
LogP5.63
Rot. Bonds9

About N-ethenyl-N-[1-(5-ethenyl-2,3-dimethyl-4-methylidene-1-pyridinyl)butan-2-yl]pentan-2-amine

N-ethenyl-N-[1-(5-ethenyl-2,3-dimethyl-4-methylidene-1-pyridinyl)butan-2-yl]pentan-2-amine (PubChem CID 146239913) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is N-ethenyl-N-[1-(5-ethenyl-2,3-dimethyl-4-methylidene-1-pyridinyl)butan-2-yl]pentan-2-amine.

Molecular Properties

Compound NameN-ethenyl-N-[1-(5-ethenyl-2,3-dimethyl-4-methylidene-1-pyridinyl)butan-2-yl]pentan-2-amine
PubChem CID146239913
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC NameN-ethenyl-N-[1-(5-ethenyl-2,3-dimethyl-4-methylidene-1-pyridinyl)butan-2-yl]pentan-2-amine
SMILESC=CC1=CN(CC(CC)N(C=C)C(C)CCC)C(C)=C(C)C1=C
InChIInChI=1S/C21H34N2/c1-9-13-16(5)23(12-4)21(11-3)15-22-14-20(10-2)18(7)17(6)19(22)8/h10,12,14,16,21H,2,4,7,9,11,13,15H2,1,3,5-6,8H3
InChIKeyACBLHOIWUJXLRM-UHFFFAOYSA-N
XLogP5.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.52
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-[1-(5-ethenyl-2,3-dimethyl-4-methylidene-1-pyridinyl)butan-2-yl]pentan-2-amine?
The IUPAC name of N-ethenyl-N-[1-(5-ethenyl-2,3-dimethyl-4-methylidene-1-pyridinyl)butan-2-yl]pentan-2-amine (CID 146239913) is N-ethenyl-N-[1-(5-ethenyl-2,3-dimethyl-4-methylidene-1-pyridinyl)butan-2-yl]pentan-2-amine.
What is the SMILES notation for N-ethenyl-N-[1-(5-ethenyl-2,3-dimethyl-4-methylidene-1-pyridinyl)butan-2-yl]pentan-2-amine?
The canonical SMILES for N-ethenyl-N-[1-(5-ethenyl-2,3-dimethyl-4-methylidene-1-pyridinyl)butan-2-yl]pentan-2-amine is C=CC1=CN(CC(CC)N(C=C)C(C)CCC)C(C)=C(C)C1=C.
What is the InChIKey of N-ethenyl-N-[1-(5-ethenyl-2,3-dimethyl-4-methylidene-1-pyridinyl)butan-2-yl]pentan-2-amine?
The InChIKey is ACBLHOIWUJXLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2/c1-9-13-16(5)23(12-4)21(11-3)15-22-14-20(10-2)18(7)17(6)19(22)8/h10,12,14,16,21H,2,4,7,9,11,13,15H2,1,3,5-6,8H3.
What are the key properties of N-ethenyl-N-[1-(5-ethenyl-2,3-dimethyl-4-methylidene-1-pyridinyl)butan-2-yl]pentan-2-amine?
N-ethenyl-N-[1-(5-ethenyl-2,3-dimethyl-4-methylidene-1-pyridinyl)butan-2-yl]pentan-2-amine has a molecular weight of 314.52 g/mol, XLogP of 5.63, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-[1-(5-ethenyl-2,3-dimethyl-4-methylidene-1-pyridinyl)butan-2-yl]pentan-2-amine is sourced from PubChem (CID 146239913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).