(E)-2-methyl-4-(3-methylpent-2-en-2-ylimino)-4-pyrrolidin-1-ylbut-2-en-1-amine

C15H27N3 — CID 177055382

IUPAC(E)-2-methyl-4-(3-methylpent-2-en-2-ylimino)-4-pyrrolidin-1-ylbut-2-en-1-amine
SMILESCCC(C)=C(C)/N=C(/C=C(\C)CN)N1CCCC1
InChIInChI=1S/C15H27N3/c1-5-13(3)14(4)17-15(10-12(2)11-16)18-8-6-7-9-18/h10H,5-9,11,16H2,1-4H3/b12-10+,14-13?,17-15-
InChIKeyFTSGVDUHGMWEHM-VZXRSAIRSA-N
MW249.40 g/mol
LogP3.09
Rot. Bonds4

About (E)-2-methyl-4-(3-methylpent-2-en-2-ylimino)-4-pyrrolidin-1-ylbut-2-en-1-amine

(E)-2-methyl-4-(3-methylpent-2-en-2-ylimino)-4-pyrrolidin-1-ylbut-2-en-1-amine (PubChem CID 177055382) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (E)-2-methyl-4-(3-methylpent-2-en-2-ylimino)-4-pyrrolidin-1-ylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-methyl-4-(3-methylpent-2-en-2-ylimino)-4-pyrrolidin-1-ylbut-2-en-1-amine
PubChem CID177055382
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(E)-2-methyl-4-(3-methylpent-2-en-2-ylimino)-4-pyrrolidin-1-ylbut-2-en-1-amine
SMILESCCC(C)=C(C)/N=C(/C=C(\C)CN)N1CCCC1
InChIInChI=1S/C15H27N3/c1-5-13(3)14(4)17-15(10-12(2)11-16)18-8-6-7-9-18/h10H,5-9,11,16H2,1-4H3/b12-10+,14-13?,17-15-
InChIKeyFTSGVDUHGMWEHM-VZXRSAIRSA-N
XLogP3.09
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E)-2-methyl-4-(3-methylpent-2-en-2-ylimino)-4-pyrrolidin-1-ylbut-2-en-1-amine?
The IUPAC name of (E)-2-methyl-4-(3-methylpent-2-en-2-ylimino)-4-pyrrolidin-1-ylbut-2-en-1-amine (CID 177055382) is (E)-2-methyl-4-(3-methylpent-2-en-2-ylimino)-4-pyrrolidin-1-ylbut-2-en-1-amine.
What is the SMILES notation for (E)-2-methyl-4-(3-methylpent-2-en-2-ylimino)-4-pyrrolidin-1-ylbut-2-en-1-amine?
The canonical SMILES for (E)-2-methyl-4-(3-methylpent-2-en-2-ylimino)-4-pyrrolidin-1-ylbut-2-en-1-amine is CCC(C)=C(C)/N=C(/C=C(\C)CN)N1CCCC1.
What is the InChIKey of (E)-2-methyl-4-(3-methylpent-2-en-2-ylimino)-4-pyrrolidin-1-ylbut-2-en-1-amine?
The InChIKey is FTSGVDUHGMWEHM-VZXRSAIRSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-13(3)14(4)17-15(10-12(2)11-16)18-8-6-7-9-18/h10H,5-9,11,16H2,1-4H3/b12-10+,14-13?,17-15-.
What are the key properties of (E)-2-methyl-4-(3-methylpent-2-en-2-ylimino)-4-pyrrolidin-1-ylbut-2-en-1-amine?
(E)-2-methyl-4-(3-methylpent-2-en-2-ylimino)-4-pyrrolidin-1-ylbut-2-en-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-(3-methylpent-2-en-2-ylimino)-4-pyrrolidin-1-ylbut-2-en-1-amine is sourced from PubChem (CID 177055382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).