N-methyl-3a,7a-dihydro-1H-indol-5-amine

C9H12N2 — CID 18345362

IUPACN-methyl-3a,7a-dihydro-1H-indol-5-amine
SMILESCNC1=CC2C=CNC2C=C1
InChIInChI=1S/C9H12N2/c1-10-8-2-3-9-7(6-8)4-5-11-9/h2-7,9-11H,1H3
InChIKeyYUVQLMANDFSIRI-UHFFFAOYSA-N
MW148.21 g/mol
LogP0.76
Rot. Bonds1

About N-methyl-3a,7a-dihydro-1H-indol-5-amine

N-methyl-3a,7a-dihydro-1H-indol-5-amine (PubChem CID 18345362) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-methyl-3a,7a-dihydro-1H-indol-5-amine.

Molecular Properties

Compound NameN-methyl-3a,7a-dihydro-1H-indol-5-amine
PubChem CID18345362
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-methyl-3a,7a-dihydro-1H-indol-5-amine
SMILESCNC1=CC2C=CNC2C=C1
InChIInChI=1S/C9H12N2/c1-10-8-2-3-9-7(6-8)4-5-11-9/h2-7,9-11H,1H3
InChIKeyYUVQLMANDFSIRI-UHFFFAOYSA-N
XLogP0.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3a,7a-dihydro-1H-indol-5-amine?
The IUPAC name of N-methyl-3a,7a-dihydro-1H-indol-5-amine (CID 18345362) is N-methyl-3a,7a-dihydro-1H-indol-5-amine.
What is the SMILES notation for N-methyl-3a,7a-dihydro-1H-indol-5-amine?
The canonical SMILES for N-methyl-3a,7a-dihydro-1H-indol-5-amine is CNC1=CC2C=CNC2C=C1.
What is the InChIKey of N-methyl-3a,7a-dihydro-1H-indol-5-amine?
The InChIKey is YUVQLMANDFSIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-10-8-2-3-9-7(6-8)4-5-11-9/h2-7,9-11H,1H3.
What are the key properties of N-methyl-3a,7a-dihydro-1H-indol-5-amine?
N-methyl-3a,7a-dihydro-1H-indol-5-amine has a molecular weight of 148.21 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3a,7a-dihydro-1H-indol-5-amine is sourced from PubChem (CID 18345362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).