N-[(1-methyl-3a,7a-dihydroindol-3-yl)methyl]methanimine

C11H14N2 — CID 89213366

IUPACN-[(1-methyl-3a,7a-dihydroindol-3-yl)methyl]methanimine
SMILESC=NCC1=CN(C)C2C=CC=CC12
InChIInChI=1S/C11H14N2/c1-12-7-9-8-13(2)11-6-4-3-5-10(9)11/h3-6,8,10-11H,1,7H2,2H3
InChIKeyICXVWDFIMTZQRT-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.63
Rot. Bonds2

About N-[(1-methyl-3a,7a-dihydroindol-3-yl)methyl]methanimine

N-[(1-methyl-3a,7a-dihydroindol-3-yl)methyl]methanimine (PubChem CID 89213366) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is N-[(1-methyl-3a,7a-dihydroindol-3-yl)methyl]methanimine.

Molecular Properties

Compound NameN-[(1-methyl-3a,7a-dihydroindol-3-yl)methyl]methanimine
PubChem CID89213366
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC NameN-[(1-methyl-3a,7a-dihydroindol-3-yl)methyl]methanimine
SMILESC=NCC1=CN(C)C2C=CC=CC12
InChIInChI=1S/C11H14N2/c1-12-7-9-8-13(2)11-6-4-3-5-10(9)11/h3-6,8,10-11H,1,7H2,2H3
InChIKeyICXVWDFIMTZQRT-UHFFFAOYSA-N
XLogP1.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3a,7a-dihydroindol-3-yl)methyl]methanimine?
The IUPAC name of N-[(1-methyl-3a,7a-dihydroindol-3-yl)methyl]methanimine (CID 89213366) is N-[(1-methyl-3a,7a-dihydroindol-3-yl)methyl]methanimine.
What is the SMILES notation for N-[(1-methyl-3a,7a-dihydroindol-3-yl)methyl]methanimine?
The canonical SMILES for N-[(1-methyl-3a,7a-dihydroindol-3-yl)methyl]methanimine is C=NCC1=CN(C)C2C=CC=CC12.
What is the InChIKey of N-[(1-methyl-3a,7a-dihydroindol-3-yl)methyl]methanimine?
The InChIKey is ICXVWDFIMTZQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-12-7-9-8-13(2)11-6-4-3-5-10(9)11/h3-6,8,10-11H,1,7H2,2H3.
What are the key properties of N-[(1-methyl-3a,7a-dihydroindol-3-yl)methyl]methanimine?
N-[(1-methyl-3a,7a-dihydroindol-3-yl)methyl]methanimine has a molecular weight of 174.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3a,7a-dihydroindol-3-yl)methyl]methanimine is sourced from PubChem (CID 89213366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).