N-methyl-2,3,4,8a,10,10a-hexahydro-1H-acridin-9-imine

C14H18N2 — CID 136962819

IUPACN-methyl-2,3,4,8a,10,10a-hexahydro-1H-acridin-9-imine
SMILESC/N=C1/C2=C(CCCC2)NC2C=CC=CC12
InChIInChI=1S/C14H18N2/c1-15-14-10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)14/h2,4,6,8,10,12,16H,3,5,7,9H2,1H3/b15-14+
InChIKeyNNFPQDVLLISRQA-CCEZHUSRSA-N
MW214.31 g/mol
LogP2.60
Rot. Bonds

About N-methyl-2,3,4,8a,10,10a-hexahydro-1H-acridin-9-imine

N-methyl-2,3,4,8a,10,10a-hexahydro-1H-acridin-9-imine (PubChem CID 136962819) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-methyl-2,3,4,8a,10,10a-hexahydro-1H-acridin-9-imine.

Molecular Properties

Compound NameN-methyl-2,3,4,8a,10,10a-hexahydro-1H-acridin-9-imine
PubChem CID136962819
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN-methyl-2,3,4,8a,10,10a-hexahydro-1H-acridin-9-imine
SMILESC/N=C1/C2=C(CCCC2)NC2C=CC=CC12
InChIInChI=1S/C14H18N2/c1-15-14-10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)14/h2,4,6,8,10,12,16H,3,5,7,9H2,1H3/b15-14+
InChIKeyNNFPQDVLLISRQA-CCEZHUSRSA-N
XLogP2.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
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-methyl-2,3,4,8a,10,10a-hexahydro-1H-acridin-9-imine?
The IUPAC name of N-methyl-2,3,4,8a,10,10a-hexahydro-1H-acridin-9-imine (CID 136962819) is N-methyl-2,3,4,8a,10,10a-hexahydro-1H-acridin-9-imine.
What is the SMILES notation for N-methyl-2,3,4,8a,10,10a-hexahydro-1H-acridin-9-imine?
The canonical SMILES for N-methyl-2,3,4,8a,10,10a-hexahydro-1H-acridin-9-imine is C/N=C1/C2=C(CCCC2)NC2C=CC=CC12.
What is the InChIKey of N-methyl-2,3,4,8a,10,10a-hexahydro-1H-acridin-9-imine?
The InChIKey is NNFPQDVLLISRQA-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H18N2/c1-15-14-10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)14/h2,4,6,8,10,12,16H,3,5,7,9H2,1H3/b15-14+.
What are the key properties of N-methyl-2,3,4,8a,10,10a-hexahydro-1H-acridin-9-imine?
N-methyl-2,3,4,8a,10,10a-hexahydro-1H-acridin-9-imine has a molecular weight of 214.31 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,3,4,8a,10,10a-hexahydro-1H-acridin-9-imine is sourced from PubChem (CID 136962819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).