N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride

C12H24ClN3O2 — CID 119553575

IUPACN'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
SMILESCCCNC(=O)CCC(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-3-7-14-11(16)4-5-12(17)15(2)10-6-8-13-9-10;/h10,13H,3-9H2,1-2H3,(H,14,16);1H
InChIKeyIAGAWZSDXHSECS-UHFFFAOYSA-N
MW277.80 g/mol
LogP0.53
Rot. Bonds6

About N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride

N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride (PubChem CID 119553575) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride.

Molecular Properties

Compound NameN'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
PubChem CID119553575
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC NameN'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
SMILESCCCNC(=O)CCC(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-3-7-14-11(16)4-5-12(17)15(2)10-6-8-13-9-10;/h10,13H,3-9H2,1-2H3,(H,14,16);1H
InChIKeyIAGAWZSDXHSECS-UHFFFAOYSA-N
XLogP0.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]butanamide;hydrochloride
CID 119553258
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide
CID 119554222
N-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
CID 119532735
N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride
CID 120557551
4-(dipropylamino)-N-methyl-N-pyrrolidin-3-ylbutanamide;dihydrochloride
CID 119551609
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119554778
2,2-dimethyl-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]propanamide;hydrochloride
CID 119552565
4-(dipropylamino)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119551610
1-methyl-1-piperidin-3-yl-3-propylurea
CID 60800516
N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119553749
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
CID 119463444

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride?
The IUPAC name of N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride (CID 119553575) is N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride.
What is the SMILES notation for N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride?
The canonical SMILES for N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride is CCCNC(=O)CCC(=O)N(C)C1CCNC1.Cl.
What is the InChIKey of N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride?
The InChIKey is IAGAWZSDXHSECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-3-7-14-11(16)4-5-12(17)15(2)10-6-8-13-9-10;/h10,13H,3-9H2,1-2H3,(H,14,16);1H.
What are the key properties of N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride?
N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride is sourced from PubChem (CID 119553575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).