N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide

C15H30N2O — CID 63143489

IUPACN-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(C)C(C)C(C)(C)C)CCNC1
InChIInChI=1S/C15H30N2O/c1-7-8-15(9-10-16-11-15)13(18)17(6)12(2)14(3,4)5/h12,16H,7-11H2,1-6H3
InChIKeySYLRMCNHXGFUKP-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.66
Rot. Bonds4

About N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide

N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide (PubChem CID 63143489) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
PubChem CID63143489
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(C)C(C)C(C)(C)C)CCNC1
InChIInChI=1S/C15H30N2O/c1-7-8-15(9-10-16-11-15)13(18)17(6)12(2)14(3,4)5/h12,16H,7-11H2,1-6H3
InChIKeySYLRMCNHXGFUKP-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 104551752
N-methyl-N-propan-2-yl-3-propylpiperidine-3-carboxamide
CID 63132392
N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide
CID 63142003
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106974598
3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide
CID 83142761
N-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide
CID 63138504
N-pentyl-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide
CID 63144012
N-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide
CID 63224988
N-(2-cyanopropyl)-N-ethyl-3-propylpyrrolidine-3-carboxamide
CID 63143639
methyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate
CID 63143463
N-methyl-N-[(2-methylcyclopropyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63866435
tert-butyl 3-propylpyrrolidine-3-carboxylate
CID 63144849

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide (CID 63143489) is N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)N(C)C(C)C(C)(C)C)CCNC1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide?
The InChIKey is SYLRMCNHXGFUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-7-8-15(9-10-16-11-15)13(18)17(6)12(2)14(3,4)5/h12,16H,7-11H2,1-6H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide?
N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63143489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).