1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylpiperidin-4-amine

C16H31N3 — CID 57309445

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C2CCC3CCCCC3N2)CC1
InChIInChI=1S/C16H31N3/c1-18(2)14-9-11-19(12-10-14)16-8-7-13-5-3-4-6-15(13)17-16/h13-17H,3-12H2,1-2H3
InChIKeySTGOEACKYYCIGK-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.28
Rot. Bonds2

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylpiperidin-4-amine

1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylpiperidin-4-amine (PubChem CID 57309445) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylpiperidin-4-amine
PubChem CID57309445
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C2CCC3CCCCC3N2)CC1
InChIInChI=1S/C16H31N3/c1-18(2)14-9-11-19(12-10-14)16-8-7-13-5-3-4-6-15(13)17-16/h13-17H,3-12H2,1-2H3
InChIKeySTGOEACKYYCIGK-UHFFFAOYSA-N
XLogP2.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylpiperidin-4-amine (CID 57309445) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(C2CCC3CCCCC3N2)CC1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is STGOEACKYYCIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-18(2)14-9-11-19(12-10-14)16-8-7-13-5-3-4-6-15(13)17-16/h13-17H,3-12H2,1-2H3.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylpiperidin-4-amine?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 265.44 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 57309445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).