3-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine

C16H27N3 — CID 82163833

IUPAC3-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine
SMILESCCNCc1ccc2c(c1)CN(CCCN(C)C)C2
InChIInChI=1S/C16H27N3/c1-4-17-11-14-6-7-15-12-19(13-16(15)10-14)9-5-8-18(2)3/h6-7,10,17H,4-5,8-9,11-13H2,1-3H3
InChIKeyVWNYXOOLGVDRRV-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.06
Rot. Bonds7

About 3-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine

3-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine (PubChem CID 82163833) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine
PubChem CID82163833
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine
SMILESCCNCc1ccc2c(c1)CN(CCCN(C)C)C2
InChIInChI=1S/C16H27N3/c1-4-17-11-14-6-7-15-12-19(13-16(15)10-14)9-5-8-18(2)3/h6-7,10,17H,4-5,8-9,11-13H2,1-3H3
InChIKeyVWNYXOOLGVDRRV-UHFFFAOYSA-N
XLogP2.06
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine (CID 82163833) is 3-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine is CCNCc1ccc2c(c1)CN(CCCN(C)C)C2.
What is the InChIKey of 3-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is VWNYXOOLGVDRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-17-11-14-6-7-15-12-19(13-16(15)10-14)9-5-8-18(2)3/h6-7,10,17H,4-5,8-9,11-13H2,1-3H3.
What are the key properties of 3-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine?
3-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 82163833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).