2-methyl-3-[3-(4-methylpenta-1,3-dien-2-yl)pyrrolidin-1-yl]propan-1-imine

C14H24N2 — CID 123712286

IUPAC2-methyl-3-[3-(4-methylpenta-1,3-dien-2-yl)pyrrolidin-1-yl]propan-1-imine
SMILES[H]/N=C/C(C)CN1CCC(C(=C)C=C(C)C)C1
InChIInChI=1S/C14H24N2/c1-11(2)7-13(4)14-5-6-16(10-14)9-12(3)8-15/h7-8,12,14-15H,4-6,9-10H2,1-3H3/b15-8+
InChIKeyVWJBMJJFNRTNHJ-OVCLIPMQSA-N
MW220.36 g/mol
LogP3.12
Rot. Bonds5

About 2-methyl-3-[3-(4-methylpenta-1,3-dien-2-yl)pyrrolidin-1-yl]propan-1-imine

2-methyl-3-[3-(4-methylpenta-1,3-dien-2-yl)pyrrolidin-1-yl]propan-1-imine (PubChem CID 123712286) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-methyl-3-[3-(4-methylpenta-1,3-dien-2-yl)pyrrolidin-1-yl]propan-1-imine.

Molecular Properties

Compound Name2-methyl-3-[3-(4-methylpenta-1,3-dien-2-yl)pyrrolidin-1-yl]propan-1-imine
PubChem CID123712286
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-methyl-3-[3-(4-methylpenta-1,3-dien-2-yl)pyrrolidin-1-yl]propan-1-imine
SMILES[H]/N=C/C(C)CN1CCC(C(=C)C=C(C)C)C1
InChIInChI=1S/C14H24N2/c1-11(2)7-13(4)14-5-6-16(10-14)9-12(3)8-15/h7-8,12,14-15H,4-6,9-10H2,1-3H3/b15-8+
InChIKeyVWJBMJJFNRTNHJ-OVCLIPMQSA-N
XLogP3.12
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.12
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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Related Compounds

5-(1-Methylpyrrolidin-3-yl)-2,3-dihydropyridine
CID 90789433
(2E)-N-methyl-3-pyrrolidin-3-ylpenta-2,4-dien-1-imine
CID 142976854
(E)-3-(1-propan-2-ylpyrrolidin-3-yl)but-2-en-1-imine
CID 170635455

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(4-methylpenta-1,3-dien-2-yl)pyrrolidin-1-yl]propan-1-imine?
The IUPAC name of 2-methyl-3-[3-(4-methylpenta-1,3-dien-2-yl)pyrrolidin-1-yl]propan-1-imine (CID 123712286) is 2-methyl-3-[3-(4-methylpenta-1,3-dien-2-yl)pyrrolidin-1-yl]propan-1-imine.
What is the SMILES notation for 2-methyl-3-[3-(4-methylpenta-1,3-dien-2-yl)pyrrolidin-1-yl]propan-1-imine?
The canonical SMILES for 2-methyl-3-[3-(4-methylpenta-1,3-dien-2-yl)pyrrolidin-1-yl]propan-1-imine is [H]/N=C/C(C)CN1CCC(C(=C)C=C(C)C)C1.
What is the InChIKey of 2-methyl-3-[3-(4-methylpenta-1,3-dien-2-yl)pyrrolidin-1-yl]propan-1-imine?
The InChIKey is VWJBMJJFNRTNHJ-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H24N2/c1-11(2)7-13(4)14-5-6-16(10-14)9-12(3)8-15/h7-8,12,14-15H,4-6,9-10H2,1-3H3/b15-8+.
What are the key properties of 2-methyl-3-[3-(4-methylpenta-1,3-dien-2-yl)pyrrolidin-1-yl]propan-1-imine?
2-methyl-3-[3-(4-methylpenta-1,3-dien-2-yl)pyrrolidin-1-yl]propan-1-imine has a molecular weight of 220.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(4-methylpenta-1,3-dien-2-yl)pyrrolidin-1-yl]propan-1-imine is sourced from PubChem (CID 123712286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).