N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide

C13H25N3O2 — CID 119554222

IUPACN',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide
SMILESCCN(CC)C(=O)CCC(=O)N(C)C1CCNC1
InChIInChI=1S/C13H25N3O2/c1-4-16(5-2)13(18)7-6-12(17)15(3)11-8-9-14-10-11/h11,14H,4-10H2,1-3H3
InChIKeyYVXQVDZYGMKPIS-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.46
Rot. Bonds6

About N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide

N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide (PubChem CID 119554222) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide.

Molecular Properties

Compound NameN',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide
PubChem CID119554222
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide
SMILESCCN(CC)C(=O)CCC(=O)N(C)C1CCNC1
InChIInChI=1S/C13H25N3O2/c1-4-16(5-2)13(18)7-6-12(17)15(3)11-8-9-14-10-11/h11,14H,4-10H2,1-3H3
InChIKeyYVXQVDZYGMKPIS-UHFFFAOYSA-N
XLogP0.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide
CID 119550914
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119554778
4-(dipropylamino)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119551610
N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
CID 119553575
N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119553749
4-(dipropylamino)-N-methyl-N-pyrrolidin-3-ylbutanamide;dihydrochloride
CID 119551609
N-methyl-N-piperidin-4-ylheptanamide
CID 115736784
2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethanesulfinic acid
CID 84674319
methyl-[(3S)-pyrrolidin-3-yl]carbamic acid
CID 66936290
4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide
CID 119554642
N-methyl-N-pyrrolidin-3-ylbut-3-enamide
CID 63298197

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide?
The IUPAC name of N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide (CID 119554222) is N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide.
What is the SMILES notation for N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide?
The canonical SMILES for N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide is CCN(CC)C(=O)CCC(=O)N(C)C1CCNC1.
What is the InChIKey of N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide?
The InChIKey is YVXQVDZYGMKPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-16(5-2)13(18)7-6-12(17)15(3)11-8-9-14-10-11/h11,14H,4-10H2,1-3H3.
What are the key properties of N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide?
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide has a molecular weight of 255.36 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide is sourced from PubChem (CID 119554222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).