N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide

C16H24N2O — CID 115272703

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)N(C)CC2(CN)CC2)c1
InChIInChI=1S/C16H24N2O/c1-13-4-3-5-14(10-13)6-7-15(19)18(2)12-16(11-17)8-9-16/h3-5,10H,6-9,11-12,17H2,1-2H3
InChIKeyCESAFDDTHYZCFA-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.12
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide (PubChem CID 115272703) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide
PubChem CID115272703
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)N(C)CC2(CN)CC2)c1
InChIInChI=1S/C16H24N2O/c1-13-4-3-5-14(10-13)6-7-15(19)18(2)12-16(11-17)8-9-16/h3-5,10H,6-9,11-12,17H2,1-2H3
InChIKeyCESAFDDTHYZCFA-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 115267710
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide
CID 115272705
3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 61411542
N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide
CID 78844007
N-methyl-3-(3-methylphenyl)-N-(2-piperidin-4-ylethyl)propanamide
CID 62366566
N,N-diethyl-3-(3-methylphenyl)propanamide
CID 60701900
1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 80588544
N-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide
CID 62367401
N-(2-chlorocyclohexyl)-N-methyl-3-(3-methylphenyl)propanamide
CID 102638215
N-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide
CID 23577992
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,5-dimethylbenzamide
CID 115272623
[4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine
CID 65390376

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide (CID 115272703) is N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)N(C)CC2(CN)CC2)c1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide?
The InChIKey is CESAFDDTHYZCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-4-3-5-14(10-13)6-7-15(19)18(2)12-16(11-17)8-9-16/h3-5,10H,6-9,11-12,17H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide has a molecular weight of 260.38 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 115272703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).