3-(dimethylamino)-N-(3-methylhepta-3,5-dien-2-yl)pyrrolidine-1-carboxamide

C15H27N3O — CID 123614318

IUPAC3-(dimethylamino)-N-(3-methylhepta-3,5-dien-2-yl)pyrrolidine-1-carboxamide
SMILESCC=CC=C(C)C(C)NC(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C15H27N3O/c1-6-7-8-12(2)13(3)16-15(19)18-10-9-14(11-18)17(4)5/h6-8,13-14H,9-11H2,1-5H3,(H,16,19)
InChIKeyVJGIEUDUQMRUSL-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.24
Rot. Bonds4

About 3-(dimethylamino)-N-(3-methylhepta-3,5-dien-2-yl)pyrrolidine-1-carboxamide

3-(dimethylamino)-N-(3-methylhepta-3,5-dien-2-yl)pyrrolidine-1-carboxamide (PubChem CID 123614318) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(3-methylhepta-3,5-dien-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(3-methylhepta-3,5-dien-2-yl)pyrrolidine-1-carboxamide
PubChem CID123614318
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-(dimethylamino)-N-(3-methylhepta-3,5-dien-2-yl)pyrrolidine-1-carboxamide
SMILESCC=CC=C(C)C(C)NC(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C15H27N3O/c1-6-7-8-12(2)13(3)16-15(19)18-10-9-14(11-18)17(4)5/h6-8,13-14H,9-11H2,1-5H3,(H,16,19)
InChIKeyVJGIEUDUQMRUSL-UHFFFAOYSA-N
XLogP2.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(3-methylhepta-3,5-dien-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-N-(3-methylhepta-3,5-dien-2-yl)pyrrolidine-1-carboxamide (CID 123614318) is 3-(dimethylamino)-N-(3-methylhepta-3,5-dien-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-N-(3-methylhepta-3,5-dien-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-N-(3-methylhepta-3,5-dien-2-yl)pyrrolidine-1-carboxamide is CC=CC=C(C)C(C)NC(=O)N1CCC(N(C)C)C1.
What is the InChIKey of 3-(dimethylamino)-N-(3-methylhepta-3,5-dien-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is VJGIEUDUQMRUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-6-7-8-12(2)13(3)16-15(19)18-10-9-14(11-18)17(4)5/h6-8,13-14H,9-11H2,1-5H3,(H,16,19).
What are the key properties of 3-(dimethylamino)-N-(3-methylhepta-3,5-dien-2-yl)pyrrolidine-1-carboxamide?
3-(dimethylamino)-N-(3-methylhepta-3,5-dien-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(3-methylhepta-3,5-dien-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 123614318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).