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

C17H26N2 — CID 106599047

IUPACN-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESCc1ccc(CN(CC2CCCN2)C2CC2)cc1C
InChIInChI=1S/C17H26N2/c1-13-5-6-15(10-14(13)2)11-19(17-7-8-17)12-16-4-3-9-18-16/h5-6,10,16-18H,3-4,7-9,11-12H2,1-2H3
InChIKeyHBFAGRIGAQZTAM-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.02
Rot. Bonds5

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

N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (PubChem CID 106599047) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
PubChem CID106599047
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESCc1ccc(CN(CC2CCCN2)C2CC2)cc1C
InChIInChI=1S/C17H26N2/c1-13-5-6-15(10-14(13)2)11-19(17-7-8-17)12-16-4-3-9-18-16/h5-6,10,16-18H,3-4,7-9,11-12H2,1-2H3
InChIKeyHBFAGRIGAQZTAM-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599006
N-[(5-fluoro-2-methylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599700
4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol
CID 106621618
N-[(4-methylsulfanylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 103519894
N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604779
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621675
N-[(3-methylfuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598988
N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621823
N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621759
N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621509
N-[(2,5-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973976
N-[1-(3,4-dimethylphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599141

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (CID 106599047) is N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is Cc1ccc(CN(CC2CCCN2)C2CC2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The InChIKey is HBFAGRIGAQZTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13-5-6-15(10-14(13)2)11-19(17-7-8-17)12-16-4-3-9-18-16/h5-6,10,16-18H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine has a molecular weight of 258.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106599047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).