N-methyl-1-(3-methyl-1-propan-2-yl-2,3-dihydroindol-6-yl)methanamine

C14H22N2 — CID 117203766

IUPACN-methyl-1-(3-methyl-1-propan-2-yl-2,3-dihydroindol-6-yl)methanamine
SMILESCNCc1ccc2c(c1)N(C(C)C)CC2C
InChIInChI=1S/C14H22N2/c1-10(2)16-9-11(3)13-6-5-12(8-15-4)7-14(13)16/h5-7,10-11,15H,8-9H2,1-4H3
InChIKeyMBLSZAWICNYWGW-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.74
Rot. Bonds3

About N-methyl-1-(3-methyl-1-propan-2-yl-2,3-dihydroindol-6-yl)methanamine

N-methyl-1-(3-methyl-1-propan-2-yl-2,3-dihydroindol-6-yl)methanamine (PubChem CID 117203766) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-1-propan-2-yl-2,3-dihydroindol-6-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-1-propan-2-yl-2,3-dihydroindol-6-yl)methanamine
PubChem CID117203766
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-methyl-1-(3-methyl-1-propan-2-yl-2,3-dihydroindol-6-yl)methanamine
SMILESCNCc1ccc2c(c1)N(C(C)C)CC2C
InChIInChI=1S/C14H22N2/c1-10(2)16-9-11(3)13-6-5-12(8-15-4)7-14(13)16/h5-7,10-11,15H,8-9H2,1-4H3
InChIKeyMBLSZAWICNYWGW-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-1-propan-2-yl-2,3-dihydroindol-6-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methyl-1-propan-2-yl-2,3-dihydroindol-6-yl)methanamine (CID 117203766) is N-methyl-1-(3-methyl-1-propan-2-yl-2,3-dihydroindol-6-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-1-propan-2-yl-2,3-dihydroindol-6-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyl-1-propan-2-yl-2,3-dihydroindol-6-yl)methanamine is CNCc1ccc2c(c1)N(C(C)C)CC2C.
What is the InChIKey of N-methyl-1-(3-methyl-1-propan-2-yl-2,3-dihydroindol-6-yl)methanamine?
The InChIKey is MBLSZAWICNYWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10(2)16-9-11(3)13-6-5-12(8-15-4)7-14(13)16/h5-7,10-11,15H,8-9H2,1-4H3.
What are the key properties of N-methyl-1-(3-methyl-1-propan-2-yl-2,3-dihydroindol-6-yl)methanamine?
N-methyl-1-(3-methyl-1-propan-2-yl-2,3-dihydroindol-6-yl)methanamine has a molecular weight of 218.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-1-propan-2-yl-2,3-dihydroindol-6-yl)methanamine is sourced from PubChem (CID 117203766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).