N,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3a,7a-dihydro-1H-indol-3-yl]ethanamine

C18H27N3 — CID 18335842

IUPACN,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3a,7a-dihydro-1H-indol-3-yl]ethanamine
SMILESCN(C)CCC1=CNC2C=CC(C3=CCN(C)CC3)=CC12
InChIInChI=1S/C18H27N3/c1-20(2)9-6-16-13-19-18-5-4-15(12-17(16)18)14-7-10-21(3)11-8-14/h4-5,7,12-13,17-19H,6,8-11H2,1-3H3
InChIKeyGIGGCPWOFXAYHJ-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.17
Rot. Bonds4

About N,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3a,7a-dihydro-1H-indol-3-yl]ethanamine

N,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3a,7a-dihydro-1H-indol-3-yl]ethanamine (PubChem CID 18335842) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3a,7a-dihydro-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3a,7a-dihydro-1H-indol-3-yl]ethanamine
PubChem CID18335842
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3a,7a-dihydro-1H-indol-3-yl]ethanamine
SMILESCN(C)CCC1=CNC2C=CC(C3=CCN(C)CC3)=CC12
InChIInChI=1S/C18H27N3/c1-20(2)9-6-16-13-19-18-5-4-15(12-17(16)18)14-7-10-21(3)11-8-14/h4-5,7,12-13,17-19H,6,8-11H2,1-3H3
InChIKeyGIGGCPWOFXAYHJ-UHFFFAOYSA-N
XLogP2.17
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3a,7a-dihydro-1H-indol-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3a,7a-dihydro-1H-indol-3-yl]ethanamine (CID 18335842) is N,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3a,7a-dihydro-1H-indol-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3a,7a-dihydro-1H-indol-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3a,7a-dihydro-1H-indol-3-yl]ethanamine is CN(C)CCC1=CNC2C=CC(C3=CCN(C)CC3)=CC12.
What is the InChIKey of N,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3a,7a-dihydro-1H-indol-3-yl]ethanamine?
The InChIKey is GIGGCPWOFXAYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-20(2)9-6-16-13-19-18-5-4-15(12-17(16)18)14-7-10-21(3)11-8-14/h4-5,7,12-13,17-19H,6,8-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3a,7a-dihydro-1H-indol-3-yl]ethanamine?
N,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3a,7a-dihydro-1H-indol-3-yl]ethanamine has a molecular weight of 285.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3a,7a-dihydro-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 18335842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).