N-[(1-propylcyclopropyl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine

C17H27NO3 — CID 103762036

IUPACN-[(1-propylcyclopropyl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine
SMILESCCCC1(CNCc2c(OC)cc(OC)cc2OC)CC1
InChIInChI=1S/C17H27NO3/c1-5-6-17(7-8-17)12-18-11-14-15(20-3)9-13(19-2)10-16(14)21-4/h9-10,18H,5-8,11-12H2,1-4H3
InChIKeyRRAPCXSIBWPJFC-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.38
Rot. Bonds9

About N-[(1-propylcyclopropyl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine

N-[(1-propylcyclopropyl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine (PubChem CID 103762036) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(1-propylcyclopropyl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(1-propylcyclopropyl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine
PubChem CID103762036
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[(1-propylcyclopropyl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine
SMILESCCCC1(CNCc2c(OC)cc(OC)cc2OC)CC1
InChIInChI=1S/C17H27NO3/c1-5-6-17(7-8-17)12-18-11-14-15(20-3)9-13(19-2)10-16(14)21-4/h9-10,18H,5-8,11-12H2,1-4H3
InChIKeyRRAPCXSIBWPJFC-UHFFFAOYSA-N
XLogP3.38
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine
CID 43090921
[(2,4,6-trimethoxyphenyl)methylamino]methanethiol
CID 115227955
2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750236
2-[(2,4,6-trimethoxyphenyl)methylamino]acetonitrile
CID 115131011
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 115244136
N-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 115195875
[1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol
CID 116928893
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine
CID 115244170
1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea
CID 47330110
1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 115207558
2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
CID 115592760
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
CID 103802368

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylcyclopropyl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine?
The IUPAC name of N-[(1-propylcyclopropyl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine (CID 103762036) is N-[(1-propylcyclopropyl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine.
What is the SMILES notation for N-[(1-propylcyclopropyl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine?
The canonical SMILES for N-[(1-propylcyclopropyl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine is CCCC1(CNCc2c(OC)cc(OC)cc2OC)CC1.
What is the InChIKey of N-[(1-propylcyclopropyl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine?
The InChIKey is RRAPCXSIBWPJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-6-17(7-8-17)12-18-11-14-15(20-3)9-13(19-2)10-16(14)21-4/h9-10,18H,5-8,11-12H2,1-4H3.
What are the key properties of N-[(1-propylcyclopropyl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine?
N-[(1-propylcyclopropyl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine has a molecular weight of 293.41 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylcyclopropyl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine is sourced from PubChem (CID 103762036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).