N,N,1-trimethyl-2,3-dihydro-1H-benzo[e]indol-6-amine

C15H18N2 — CID 163282267

IUPACN,N,1-trimethyl-2,3-dihydro-1H-benzo[e]indol-6-amine
SMILESCC1CNc2ccc3c(N(C)C)cccc3c21
InChIInChI=1S/C15H18N2/c1-10-9-16-13-8-7-11-12(15(10)13)5-4-6-14(11)17(2)3/h4-8,10,16H,9H2,1-3H3
InChIKeyOLLCXINABQLHNQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.43
Rot. Bonds1

About N,N,1-trimethyl-2,3-dihydro-1H-benzo[e]indol-6-amine

N,N,1-trimethyl-2,3-dihydro-1H-benzo[e]indol-6-amine (PubChem CID 163282267) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N,N,1-trimethyl-2,3-dihydro-1H-benzo[e]indol-6-amine.

Molecular Properties

Compound NameN,N,1-trimethyl-2,3-dihydro-1H-benzo[e]indol-6-amine
PubChem CID163282267
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN,N,1-trimethyl-2,3-dihydro-1H-benzo[e]indol-6-amine
SMILESCC1CNc2ccc3c(N(C)C)cccc3c21
InChIInChI=1S/C15H18N2/c1-10-9-16-13-8-7-11-12(15(10)13)5-4-6-14(11)17(2)3/h4-8,10,16H,9H2,1-3H3
InChIKeyOLLCXINABQLHNQ-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-2,3-dihydro-1H-benzo[e]indol-6-amine?
The IUPAC name of N,N,1-trimethyl-2,3-dihydro-1H-benzo[e]indol-6-amine (CID 163282267) is N,N,1-trimethyl-2,3-dihydro-1H-benzo[e]indol-6-amine.
What is the SMILES notation for N,N,1-trimethyl-2,3-dihydro-1H-benzo[e]indol-6-amine?
The canonical SMILES for N,N,1-trimethyl-2,3-dihydro-1H-benzo[e]indol-6-amine is CC1CNc2ccc3c(N(C)C)cccc3c21.
What is the InChIKey of N,N,1-trimethyl-2,3-dihydro-1H-benzo[e]indol-6-amine?
The InChIKey is OLLCXINABQLHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-10-9-16-13-8-7-11-12(15(10)13)5-4-6-14(11)17(2)3/h4-8,10,16H,9H2,1-3H3.
What are the key properties of N,N,1-trimethyl-2,3-dihydro-1H-benzo[e]indol-6-amine?
N,N,1-trimethyl-2,3-dihydro-1H-benzo[e]indol-6-amine has a molecular weight of 226.32 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-2,3-dihydro-1H-benzo[e]indol-6-amine is sourced from PubChem (CID 163282267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).