N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride

C12H25ClN2O — CID 119554778

IUPACN,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
SMILESCN(C(=O)CCC(C)(C)C)C1CCNC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-12(2,3)7-5-11(15)14(4)10-6-8-13-9-10;/h10,13H,5-9H2,1-4H3;1H
InChIKeyDAZKKIGFQYBUII-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.05
Rot. Bonds3

About N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride

N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride (PubChem CID 119554778) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride.

Molecular Properties

Compound NameN,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
PubChem CID119554778
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC NameN,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
SMILESCN(C(=O)CCC(C)(C)C)C1CCNC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-12(2,3)7-5-11(15)14(4)10-6-8-13-9-10;/h10,13H,5-9H2,1-4H3;1H
InChIKeyDAZKKIGFQYBUII-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119553749
2,2-dimethyl-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]propanamide;hydrochloride
CID 119552565
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide
CID 119554222
2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethanesulfinic acid
CID 84674319
4-(dipropylamino)-N-methyl-N-pyrrolidin-3-ylbutanamide;dihydrochloride
CID 119551609
N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 174958940
N-methyl-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 119011345
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide
CID 119550914
4-(dipropylamino)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119551610
N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
CID 119553575
3-cyclopropyl-N-methyl-N-piperidin-4-ylpropanamide
CID 119441464

Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride?
The IUPAC name of N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride (CID 119554778) is N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride.
What is the SMILES notation for N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride?
The canonical SMILES for N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride is CN(C(=O)CCC(C)(C)C)C1CCNC1.Cl.
What is the InChIKey of N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride?
The InChIKey is DAZKKIGFQYBUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-12(2,3)7-5-11(15)14(4)10-6-8-13-9-10;/h10,13H,5-9H2,1-4H3;1H.
What are the key properties of N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride?
N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride is sourced from PubChem (CID 119554778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).