N-methyl-1-[1-(1,6,7-trimethylindol-3-yl)cyclopropyl]methanamine

C16H22N2 — CID 84630495

IUPACN-methyl-1-[1-(1,6,7-trimethylindol-3-yl)cyclopropyl]methanamine
SMILESCNCC1(c2cn(C)c3c(C)c(C)ccc23)CC1
InChIInChI=1S/C16H22N2/c1-11-5-6-13-14(16(7-8-16)10-17-3)9-18(4)15(13)12(11)2/h5-6,9,17H,7-8,10H2,1-4H3
InChIKeyXYEKEYCIRBQLPT-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.05
Rot. Bonds3

About N-methyl-1-[1-(1,6,7-trimethylindol-3-yl)cyclopropyl]methanamine

N-methyl-1-[1-(1,6,7-trimethylindol-3-yl)cyclopropyl]methanamine (PubChem CID 84630495) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-methyl-1-[1-(1,6,7-trimethylindol-3-yl)cyclopropyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(1,6,7-trimethylindol-3-yl)cyclopropyl]methanamine
PubChem CID84630495
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-methyl-1-[1-(1,6,7-trimethylindol-3-yl)cyclopropyl]methanamine
SMILESCNCC1(c2cn(C)c3c(C)c(C)ccc23)CC1
InChIInChI=1S/C16H22N2/c1-11-5-6-13-14(16(7-8-16)10-17-3)9-18(4)15(13)12(11)2/h5-6,9,17H,7-8,10H2,1-4H3
InChIKeyXYEKEYCIRBQLPT-UHFFFAOYSA-N
XLogP3.05
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(1,6,7-trimethylindol-3-yl)cyclopropyl]methanamine?
The IUPAC name of N-methyl-1-[1-(1,6,7-trimethylindol-3-yl)cyclopropyl]methanamine (CID 84630495) is N-methyl-1-[1-(1,6,7-trimethylindol-3-yl)cyclopropyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(1,6,7-trimethylindol-3-yl)cyclopropyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(1,6,7-trimethylindol-3-yl)cyclopropyl]methanamine is CNCC1(c2cn(C)c3c(C)c(C)ccc23)CC1.
What is the InChIKey of N-methyl-1-[1-(1,6,7-trimethylindol-3-yl)cyclopropyl]methanamine?
The InChIKey is XYEKEYCIRBQLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-11-5-6-13-14(16(7-8-16)10-17-3)9-18(4)15(13)12(11)2/h5-6,9,17H,7-8,10H2,1-4H3.
What are the key properties of N-methyl-1-[1-(1,6,7-trimethylindol-3-yl)cyclopropyl]methanamine?
N-methyl-1-[1-(1,6,7-trimethylindol-3-yl)cyclopropyl]methanamine has a molecular weight of 242.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(1,6,7-trimethylindol-3-yl)cyclopropyl]methanamine is sourced from PubChem (CID 84630495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).