N-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine

C16H24N2 — CID 62513057

IUPACN-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCc1ccc(N2CCC(CNC3CC3)C2)c(C)c1
InChIInChI=1S/C16H24N2/c1-12-3-6-16(13(2)9-12)18-8-7-14(11-18)10-17-15-4-5-15/h3,6,9,14-15,17H,4-5,7-8,10-11H2,1-2H3
InChIKeyYJBOBNGPIPVYBE-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.88
Rot. Bonds4

About N-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine

N-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine (PubChem CID 62513057) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
PubChem CID62513057
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCc1ccc(N2CCC(CNC3CC3)C2)c(C)c1
InChIInChI=1S/C16H24N2/c1-12-3-6-16(13(2)9-12)18-8-7-14(11-18)10-17-15-4-5-15/h3,6,9,14-15,17H,4-5,7-8,10-11H2,1-2H3
InChIKeyYJBOBNGPIPVYBE-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine (CID 62513057) is N-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine is Cc1ccc(N2CCC(CNC3CC3)C2)c(C)c1.
What is the InChIKey of N-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The InChIKey is YJBOBNGPIPVYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12-3-6-16(13(2)9-12)18-8-7-14(11-18)10-17-15-4-5-15/h3,6,9,14-15,17H,4-5,7-8,10-11H2,1-2H3.
What are the key properties of N-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
N-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine has a molecular weight of 244.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62513057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).