N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(1-methylindol-5-yl)methanamine

C17H24N2O — CID 131908152

IUPACN-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(1-methylindol-5-yl)methanamine
SMILESCOCC1(CNCc2ccc3c(ccn3C)c2)CCC1
InChIInChI=1S/C17H24N2O/c1-19-9-6-15-10-14(4-5-16(15)19)11-18-12-17(13-20-2)7-3-8-17/h4-6,9-10,18H,3,7-8,11-13H2,1-2H3
InChIKeyXLHQCANYMROSQN-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.08
Rot. Bonds6

About N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(1-methylindol-5-yl)methanamine

N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(1-methylindol-5-yl)methanamine (PubChem CID 131908152) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(1-methylindol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(1-methylindol-5-yl)methanamine
PubChem CID131908152
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(1-methylindol-5-yl)methanamine
SMILESCOCC1(CNCc2ccc3c(ccn3C)c2)CCC1
InChIInChI=1S/C17H24N2O/c1-19-9-6-15-10-14(4-5-16(15)19)11-18-12-17(13-20-2)7-3-8-17/h4-6,9-10,18H,3,7-8,11-13H2,1-2H3
InChIKeyXLHQCANYMROSQN-UHFFFAOYSA-N
XLogP3.08
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

O-[(1-methylindol-5-yl)methyl]hydroxylamine
CID 83481903
N-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine
CID 103991561
N-[(3,4-dimethoxyphenyl)methyl]-1-methylindol-5-amine
CID 82538657
N-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine
CID 82539031
2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine
CID 104649955
2-(2-methoxyethyl)-8-[(1-methylindol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70768959
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
1-[1-(2-chlorophenyl)pyrazol-4-yl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]methanamine
CID 131908261
N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(2-phenylpyrazol-3-yl)methanamine
CID 131910912
[1-[[(1-methylbenzimidazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 115243491
[1-(1-methylindol-5-yl)cyclohexyl]methanamine
CID 117358358
methyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate
CID 102916342

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(1-methylindol-5-yl)methanamine?
The IUPAC name of N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(1-methylindol-5-yl)methanamine (CID 131908152) is N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(1-methylindol-5-yl)methanamine.
What is the SMILES notation for N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(1-methylindol-5-yl)methanamine?
The canonical SMILES for N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(1-methylindol-5-yl)methanamine is COCC1(CNCc2ccc3c(ccn3C)c2)CCC1.
What is the InChIKey of N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(1-methylindol-5-yl)methanamine?
The InChIKey is XLHQCANYMROSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-19-9-6-15-10-14(4-5-16(15)19)11-18-12-17(13-20-2)7-3-8-17/h4-6,9-10,18H,3,7-8,11-13H2,1-2H3.
What are the key properties of N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(1-methylindol-5-yl)methanamine?
N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(1-methylindol-5-yl)methanamine has a molecular weight of 272.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(1-methylindol-5-yl)methanamine is sourced from PubChem (CID 131908152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).