N-[3-(7-methoxy-1-methylindol-3-yl)propyl]cyclopropanamine

C16H22N2O — CID 98032946

IUPACN-[3-(7-methoxy-1-methylindol-3-yl)propyl]cyclopropanamine
SMILESCOc1cccc2c(CCCNC3CC3)cn(C)c12
InChIInChI=1S/C16H22N2O/c1-18-11-12(5-4-10-17-13-8-9-13)14-6-3-7-15(19-2)16(14)18/h3,6-7,11,13,17H,4-5,8-10H2,1-2H3
InChIKeyHNWVACUOKHBIPD-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.87
Rot. Bonds6

About N-[3-(7-methoxy-1-methylindol-3-yl)propyl]cyclopropanamine

N-[3-(7-methoxy-1-methylindol-3-yl)propyl]cyclopropanamine (PubChem CID 98032946) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[3-(7-methoxy-1-methylindol-3-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(7-methoxy-1-methylindol-3-yl)propyl]cyclopropanamine
PubChem CID98032946
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[3-(7-methoxy-1-methylindol-3-yl)propyl]cyclopropanamine
SMILESCOc1cccc2c(CCCNC3CC3)cn(C)c12
InChIInChI=1S/C16H22N2O/c1-18-11-12(5-4-10-17-13-8-9-13)14-6-3-7-15(19-2)16(14)18/h3,6-7,11,13,17H,4-5,8-10H2,1-2H3
InChIKeyHNWVACUOKHBIPD-UHFFFAOYSA-N
XLogP2.87
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
CID 96677257
1-(7-methoxy-1-methylindol-3-yl)-N-methylmethanamine
CID 22139134
N-[3-(2-methoxyphenyl)propyl]-1-propan-2-ylpiperidin-4-amine
CID 50981884
N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanamine
CID 81048555
N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
CID 29015300
N-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine
CID 117181659
N-[2-(1-methylindol-3-yl)ethyl]cyclopentanamine
CID 82477892
N-[2-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 113218952
3-(7-chloro-1-methylindol-3-yl)-N-methylpropan-1-amine
CID 82496899
3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine
CID 117197959
N-[3-(2-methoxyphenyl)sulfonylpropyl]cyclopropanamine
CID 64675874
N-[3-(2-bromophenyl)propyl]cyclopropanamine
CID 62528627

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-methoxy-1-methylindol-3-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(7-methoxy-1-methylindol-3-yl)propyl]cyclopropanamine (CID 98032946) is N-[3-(7-methoxy-1-methylindol-3-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(7-methoxy-1-methylindol-3-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(7-methoxy-1-methylindol-3-yl)propyl]cyclopropanamine is COc1cccc2c(CCCNC3CC3)cn(C)c12.
What is the InChIKey of N-[3-(7-methoxy-1-methylindol-3-yl)propyl]cyclopropanamine?
The InChIKey is HNWVACUOKHBIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-18-11-12(5-4-10-17-13-8-9-13)14-6-3-7-15(19-2)16(14)18/h3,6-7,11,13,17H,4-5,8-10H2,1-2H3.
What are the key properties of N-[3-(7-methoxy-1-methylindol-3-yl)propyl]cyclopropanamine?
N-[3-(7-methoxy-1-methylindol-3-yl)propyl]cyclopropanamine has a molecular weight of 258.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-methoxy-1-methylindol-3-yl)propyl]cyclopropanamine is sourced from PubChem (CID 98032946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).