N-tert-butyl-N-prop-2-enyl-2-propylpyrrolidine-2-carboxamide

C15H28N2O — CID 106975650

IUPACN-tert-butyl-N-prop-2-enyl-2-propylpyrrolidine-2-carboxamide
SMILESC=CCN(C(=O)C1(CCC)CCCN1)C(C)(C)C
InChIInChI=1S/C15H28N2O/c1-6-9-15(10-8-11-16-15)13(18)17(12-7-2)14(3,4)5/h7,16H,2,6,8-12H2,1,3-5H3
InChIKeyXIHFOYYIFBZZKB-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.72
Rot. Bonds5

About N-tert-butyl-N-prop-2-enyl-2-propylpyrrolidine-2-carboxamide

N-tert-butyl-N-prop-2-enyl-2-propylpyrrolidine-2-carboxamide (PubChem CID 106975650) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-tert-butyl-N-prop-2-enyl-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-prop-2-enyl-2-propylpyrrolidine-2-carboxamide
PubChem CID106975650
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-tert-butyl-N-prop-2-enyl-2-propylpyrrolidine-2-carboxamide
SMILESC=CCN(C(=O)C1(CCC)CCCN1)C(C)(C)C
InChIInChI=1S/C15H28N2O/c1-6-9-15(10-8-11-16-15)13(18)17(12-7-2)14(3,4)5/h7,16H,2,6,8-12H2,1,3-5H3
InChIKeyXIHFOYYIFBZZKB-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106974598
N-ethyl-N,2-dipropylpyrrolidine-2-carboxamide
CID 106974201
1-(2-propylpyrrolidin-2-yl)hex-5-en-1-one
CID 106976848
N,N-bis(2-methylpropyl)-2-propylpyrrolidine-2-carboxamide
CID 106974292
2-[cyclopropyl-(2-propylpyrrolidine-2-carbonyl)amino]acetic acid
CID 106974836
N-propan-2-yl-N,2-dipropylpyrrolidine-2-carboxamide
CID 106974202
cyclopentyl-(2-propylpyrrolidin-2-yl)methanone
CID 106976587
N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide
CID 106975714
N-methyl-N-[2-(methylamino)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106975276
N-methyl-N-(3-methylcyclohexyl)-2-propylpyrrolidine-2-carboxamide
CID 106974976
N-(1-cyclopropylethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 106974581
N-methyl-N-(oxolan-2-ylmethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974973

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-prop-2-enyl-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-tert-butyl-N-prop-2-enyl-2-propylpyrrolidine-2-carboxamide (CID 106975650) is N-tert-butyl-N-prop-2-enyl-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-N-prop-2-enyl-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-tert-butyl-N-prop-2-enyl-2-propylpyrrolidine-2-carboxamide is C=CCN(C(=O)C1(CCC)CCCN1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-prop-2-enyl-2-propylpyrrolidine-2-carboxamide?
The InChIKey is XIHFOYYIFBZZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-6-9-15(10-8-11-16-15)13(18)17(12-7-2)14(3,4)5/h7,16H,2,6,8-12H2,1,3-5H3.
What are the key properties of N-tert-butyl-N-prop-2-enyl-2-propylpyrrolidine-2-carboxamide?
N-tert-butyl-N-prop-2-enyl-2-propylpyrrolidine-2-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-prop-2-enyl-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106975650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).