N-butyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine

C16H26N2 — CID 69061911

IUPACN-butyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine
SMILESCCCCN(Cc1ccc(C)cc1)C1CCNC1
InChIInChI=1S/C16H26N2/c1-3-4-11-18(16-9-10-17-12-16)13-15-7-5-14(2)6-8-15/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeyGOGYHBNAZGAETG-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.96
Rot. Bonds6

About N-butyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine

N-butyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine (PubChem CID 69061911) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-butyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-butyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine
PubChem CID69061911
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-butyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine
SMILESCCCCN(Cc1ccc(C)cc1)C1CCNC1
InChIInChI=1S/C16H26N2/c1-3-4-11-18(16-9-10-17-12-16)13-15-7-5-14(2)6-8-15/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeyGOGYHBNAZGAETG-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300569
(3S)-N-butyl-N-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11162401
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
N-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine
CID 65478565
N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 113499913
4-[[propyl(pyrrolidin-3-yl)amino]methyl]benzene-1,2-diol
CID 55204580
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63299452
N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921462
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
N-ethyl-N-pentylpyrrolidin-3-amine
CID 63299512
N-[(4-bromo-3-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 81436109

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-butyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine (CID 69061911) is N-butyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-butyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-butyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine is CCCCN(Cc1ccc(C)cc1)C1CCNC1.
What is the InChIKey of N-butyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is GOGYHBNAZGAETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-4-11-18(16-9-10-17-12-16)13-15-7-5-14(2)6-8-15/h5-8,16-17H,3-4,9-13H2,1-2H3.
What are the key properties of N-butyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine?
N-butyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 246.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 69061911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).