4-[6-(4-amino-2-ethylbutyl)-3-pyridinyl]-N,N-dimethylaniline

C19H27N3 — CID 156650564

IUPAC4-[6-(4-amino-2-ethylbutyl)-3-pyridinyl]-N,N-dimethylaniline
SMILESCCC(CCN)Cc1ccc(-c2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C19H27N3/c1-4-15(11-12-20)13-18-8-5-17(14-21-18)16-6-9-19(10-7-16)22(2)3/h5-10,14-15H,4,11-13,20H2,1-3H3
InChIKeyOGUUPNAZYHINKV-UHFFFAOYSA-N
MW297.45 g/mol
LogP3.73
Rot. Bonds7

About 4-[6-(4-amino-2-ethylbutyl)-3-pyridinyl]-N,N-dimethylaniline

4-[6-(4-amino-2-ethylbutyl)-3-pyridinyl]-N,N-dimethylaniline (PubChem CID 156650564) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is 4-[6-(4-amino-2-ethylbutyl)-3-pyridinyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[6-(4-amino-2-ethylbutyl)-3-pyridinyl]-N,N-dimethylaniline
PubChem CID156650564
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name4-[6-(4-amino-2-ethylbutyl)-3-pyridinyl]-N,N-dimethylaniline
SMILESCCC(CCN)Cc1ccc(-c2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C19H27N3/c1-4-15(11-12-20)13-18-8-5-17(14-21-18)16-6-9-19(10-7-16)22(2)3/h5-10,14-15H,4,11-13,20H2,1-3H3
InChIKeyOGUUPNAZYHINKV-UHFFFAOYSA-N
XLogP3.73
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-amino-2-ethylbutyl)-3-pyridinyl]-N,N-dimethylaniline?
The IUPAC name of 4-[6-(4-amino-2-ethylbutyl)-3-pyridinyl]-N,N-dimethylaniline (CID 156650564) is 4-[6-(4-amino-2-ethylbutyl)-3-pyridinyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[6-(4-amino-2-ethylbutyl)-3-pyridinyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[6-(4-amino-2-ethylbutyl)-3-pyridinyl]-N,N-dimethylaniline is CCC(CCN)Cc1ccc(-c2ccc(N(C)C)cc2)cn1.
What is the InChIKey of 4-[6-(4-amino-2-ethylbutyl)-3-pyridinyl]-N,N-dimethylaniline?
The InChIKey is OGUUPNAZYHINKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-4-15(11-12-20)13-18-8-5-17(14-21-18)16-6-9-19(10-7-16)22(2)3/h5-10,14-15H,4,11-13,20H2,1-3H3.
What are the key properties of 4-[6-(4-amino-2-ethylbutyl)-3-pyridinyl]-N,N-dimethylaniline?
4-[6-(4-amino-2-ethylbutyl)-3-pyridinyl]-N,N-dimethylaniline has a molecular weight of 297.45 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-amino-2-ethylbutyl)-3-pyridinyl]-N,N-dimethylaniline is sourced from PubChem (CID 156650564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).