3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine

C19H32N2 — CID 79051407

IUPAC3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCCNC(Cc1ccc(C)cc1)C(C)(C)N1CCCC1
InChIInChI=1S/C19H32N2/c1-5-12-20-18(15-17-10-8-16(2)9-11-17)19(3,4)21-13-6-7-14-21/h8-11,18,20H,5-7,12-15H2,1-4H3
InChIKeyAJOIKWYYWJBDAT-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.78
Rot. Bonds7

About 3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine

3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine (PubChem CID 79051407) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
PubChem CID79051407
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCCNC(Cc1ccc(C)cc1)C(C)(C)N1CCCC1
InChIInChI=1S/C19H32N2/c1-5-12-20-18(15-17-10-8-16(2)9-11-17)19(3,4)21-13-6-7-14-21/h8-11,18,20H,5-7,12-15H2,1-4H3
InChIKeyAJOIKWYYWJBDAT-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79045291
3-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
CID 104736483
1-(5-ethylthiophen-2-yl)-3-methyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051436
1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052033
N-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052048
1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine
CID 79052191
3-ethoxy-3-ethyl-1-(4-methylphenyl)-N-propylpentan-2-amine
CID 116760344
[1-(3,4-dimethylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239895
N-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056899
3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine
CID 79051842
[3-(azepan-1-yl)-1-(4-iodophenyl)-3-methylbutan-2-yl]hydrazine
CID 105240327
4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine
CID 79052192

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of 3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine (CID 79051407) is 3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for 3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for 3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine is CCCNC(Cc1ccc(C)cc1)C(C)(C)N1CCCC1.
What is the InChIKey of 3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is AJOIKWYYWJBDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-12-20-18(15-17-10-8-16(2)9-11-17)19(3,4)21-13-6-7-14-21/h8-11,18,20H,5-7,12-15H2,1-4H3.
What are the key properties of 3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine?
3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 79051407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).