N,1-dimethyl-N-(3-methylphenyl)pyrrolidin-3-amine;ethane

C17H32N2 — CID 167711519

IUPACN,1-dimethyl-N-(3-methylphenyl)pyrrolidin-3-amine;ethane
SMILESCC.CC.Cc1cccc(N(C)C2CCN(C)C2)c1
InChIInChI=1S/C13H20N2.2C2H6/c1-11-5-4-6-12(9-11)15(3)13-7-8-14(2)10-13;2*1-2/h4-6,9,13H,7-8,10H2,1-3H3;2*1-2H3
InChIKeyZXFRBMHKRJFZCI-UHFFFAOYSA-N
MW264.46 g/mol
LogP4.19
Rot. Bonds2

About N,1-dimethyl-N-(3-methylphenyl)pyrrolidin-3-amine;ethane

N,1-dimethyl-N-(3-methylphenyl)pyrrolidin-3-amine;ethane (PubChem CID 167711519) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N,1-dimethyl-N-(3-methylphenyl)pyrrolidin-3-amine;ethane.

Molecular Properties

Compound NameN,1-dimethyl-N-(3-methylphenyl)pyrrolidin-3-amine;ethane
PubChem CID167711519
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN,1-dimethyl-N-(3-methylphenyl)pyrrolidin-3-amine;ethane
SMILESCC.CC.Cc1cccc(N(C)C2CCN(C)C2)c1
InChIInChI=1S/C13H20N2.2C2H6/c1-11-5-4-6-12(9-11)15(3)13-7-8-14(2)10-13;2*1-2/h4-6,9,13H,7-8,10H2,1-3H3;2*1-2H3
InChIKeyZXFRBMHKRJFZCI-UHFFFAOYSA-N
XLogP4.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,1-dimethyl-N-(3-methylphenyl)pyrrolidin-3-amine;ethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(3-methylphenyl)pyrrolidin-3-amine;ethane?
The IUPAC name of N,1-dimethyl-N-(3-methylphenyl)pyrrolidin-3-amine;ethane (CID 167711519) is N,1-dimethyl-N-(3-methylphenyl)pyrrolidin-3-amine;ethane.
What is the SMILES notation for N,1-dimethyl-N-(3-methylphenyl)pyrrolidin-3-amine;ethane?
The canonical SMILES for N,1-dimethyl-N-(3-methylphenyl)pyrrolidin-3-amine;ethane is CC.CC.Cc1cccc(N(C)C2CCN(C)C2)c1.
What is the InChIKey of N,1-dimethyl-N-(3-methylphenyl)pyrrolidin-3-amine;ethane?
The InChIKey is ZXFRBMHKRJFZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.2C2H6/c1-11-5-4-6-12(9-11)15(3)13-7-8-14(2)10-13;2*1-2/h4-6,9,13H,7-8,10H2,1-3H3;2*1-2H3.
What are the key properties of N,1-dimethyl-N-(3-methylphenyl)pyrrolidin-3-amine;ethane?
N,1-dimethyl-N-(3-methylphenyl)pyrrolidin-3-amine;ethane has a molecular weight of 264.46 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(3-methylphenyl)pyrrolidin-3-amine;ethane is sourced from PubChem (CID 167711519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).