N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride

C14H23ClN2 — CID 119921759

IUPACN-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
SMILESCCCN(Cc1ccccc1)C1CCNC1.Cl
InChIInChI=1S/C14H22N2.ClH/c1-2-10-16(14-8-9-15-11-14)12-13-6-4-3-5-7-13;/h3-7,14-15H,2,8-12H2,1H3;1H
InChIKeyRLEMQILWJOAZLD-UHFFFAOYSA-N
MW254.80 g/mol
LogP2.68
Rot. Bonds5

About N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride

N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride (PubChem CID 119921759) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
PubChem CID119921759
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC NameN-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
SMILESCCCN(Cc1ccccc1)C1CCNC1.Cl
InChIInChI=1S/C14H22N2.ClH/c1-2-10-16(14-8-9-15-11-14)12-13-6-4-3-5-7-13;/h3-7,14-15H,2,8-12H2,1H3;1H
InChIKeyRLEMQILWJOAZLD-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300569
3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63301041
N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300786
N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921462
N-[(3-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921376
N-(2-phenylsulfanylethyl)-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921375
N-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300619
N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 113499913
4-[[propyl(pyrrolidin-3-yl)amino]methyl]benzene-1,2-diol
CID 55204580
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride (CID 119921759) is N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride is CCCN(Cc1ccccc1)C1CCNC1.Cl.
What is the InChIKey of N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride?
The InChIKey is RLEMQILWJOAZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.ClH/c1-2-10-16(14-8-9-15-11-14)12-13-6-4-3-5-7-13;/h3-7,14-15H,2,8-12H2,1H3;1H.
What are the key properties of N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride?
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride has a molecular weight of 254.80 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119921759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).