N-[2-methyl-2-(4-propylphenyl)propyl]pyrrolidin-3-amine

C17H28N2 — CID 115119176

IUPACN-[2-methyl-2-(4-propylphenyl)propyl]pyrrolidin-3-amine
SMILESCCCc1ccc(C(C)(C)CNC2CCNC2)cc1
InChIInChI=1S/C17H28N2/c1-4-5-14-6-8-15(9-7-14)17(2,3)13-19-16-10-11-18-12-16/h6-9,16,18-19H,4-5,10-13H2,1-3H3
InChIKeyAQQZQINSSPGCCA-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.87
Rot. Bonds6

About N-[2-methyl-2-(4-propylphenyl)propyl]pyrrolidin-3-amine

N-[2-methyl-2-(4-propylphenyl)propyl]pyrrolidin-3-amine (PubChem CID 115119176) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[2-methyl-2-(4-propylphenyl)propyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-methyl-2-(4-propylphenyl)propyl]pyrrolidin-3-amine
PubChem CID115119176
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[2-methyl-2-(4-propylphenyl)propyl]pyrrolidin-3-amine
SMILESCCCc1ccc(C(C)(C)CNC2CCNC2)cc1
InChIInChI=1S/C17H28N2/c1-4-5-14-6-8-15(9-7-14)17(2,3)13-19-16-10-11-18-12-16/h6-9,16,18-19H,4-5,10-13H2,1-3H3
InChIKeyAQQZQINSSPGCCA-UHFFFAOYSA-N
XLogP2.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-methyl-2-(4-propylphenyl)propyl]pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-ethylphenyl)-2-methylpropyl]piperidin-4-amine
CID 115118551
N-[2-(3,4-dimethylphenyl)-2-methylpropyl]pyrrolidin-3-amine
CID 115119164
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]pyrrolidin-3-amine
CID 115119195
N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 79740953
N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine
CID 115227465
N-[2-(4-butan-2-ylphenyl)ethyl]pyrrolidin-3-amine
CID 115118986
N-[(4-aminophenyl)methyl]pyrrolidin-3-amine
CID 19853352
4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967100
N-methyl-N-(4-propylphenyl)pyrrolidin-3-amine
CID 115118684
N'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine
CID 115195580
1-(4-chloro-2-methylbutan-2-yl)-4-propylbenzene
CID 79837445
4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride
CID 162755757

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(4-propylphenyl)propyl]pyrrolidin-3-amine?
The IUPAC name of N-[2-methyl-2-(4-propylphenyl)propyl]pyrrolidin-3-amine (CID 115119176) is N-[2-methyl-2-(4-propylphenyl)propyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[2-methyl-2-(4-propylphenyl)propyl]pyrrolidin-3-amine?
The canonical SMILES for N-[2-methyl-2-(4-propylphenyl)propyl]pyrrolidin-3-amine is CCCc1ccc(C(C)(C)CNC2CCNC2)cc1.
What is the InChIKey of N-[2-methyl-2-(4-propylphenyl)propyl]pyrrolidin-3-amine?
The InChIKey is AQQZQINSSPGCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-5-14-6-8-15(9-7-14)17(2,3)13-19-16-10-11-18-12-16/h6-9,16,18-19H,4-5,10-13H2,1-3H3.
What are the key properties of N-[2-methyl-2-(4-propylphenyl)propyl]pyrrolidin-3-amine?
N-[2-methyl-2-(4-propylphenyl)propyl]pyrrolidin-3-amine has a molecular weight of 260.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(4-propylphenyl)propyl]pyrrolidin-3-amine is sourced from PubChem (CID 115119176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).