ethane;N,2,4,5-tetramethyl-3-piperidin-1-yl-6-propan-2-ylaniline;N,2,4,5-tetramethyl-6-propan-2-yl-3-pyrrolidin-1-ylaniline

C39H70N4 — CID 160863041

IUPACethane;N,2,4,5-tetramethyl-3-piperidin-1-yl-6-propan-2-ylaniline;N,2,4,5-tetramethyl-6-propan-2-yl-3-pyrrolidin-1-ylaniline
SMILESCC.CC.CNc1c(C)c(N2CCCC2)c(C)c(C)c1C(C)C.CNc1c(C)c(N2CCCCC2)c(C)c(C)c1C(C)C
InChIInChI=1S/C18H30N2.C17H28N2.2C2H6/c1-12(2)16-13(3)14(4)18(15(5)17(16)19-6)20-10-8-7-9-11-20;1-11(2)15-12(3)13(4)17(14(5)16(15)18-6)19-9-7-8-10-19;2*1-2/h12,19H,7-11H2,1-6H3;11,18H,7-10H2,1-6H3;2*1-2H3
InChIKeySKSXFKGRIQWHNS-UHFFFAOYSA-N
MW595.02 g/mol
LogP11.20
Rot. Bonds6

About ethane;N,2,4,5-tetramethyl-3-piperidin-1-yl-6-propan-2-ylaniline;N,2,4,5-tetramethyl-6-propan-2-yl-3-pyrrolidin-1-ylaniline

ethane;N,2,4,5-tetramethyl-3-piperidin-1-yl-6-propan-2-ylaniline;N,2,4,5-tetramethyl-6-propan-2-yl-3-pyrrolidin-1-ylaniline (PubChem CID 160863041) has the molecular formula C39H70N4 and a molecular weight of 595.02 g/mol. Its IUPAC name is ethane;N,2,4,5-tetramethyl-3-piperidin-1-yl-6-propan-2-ylaniline;N,2,4,5-tetramethyl-6-propan-2-yl-3-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Nameethane;N,2,4,5-tetramethyl-3-piperidin-1-yl-6-propan-2-ylaniline;N,2,4,5-tetramethyl-6-propan-2-yl-3-pyrrolidin-1-ylaniline
PubChem CID160863041
Molecular FormulaC39H70N4
Molecular Weight595.02 g/mol
Exact Mass594.56
IUPAC Nameethane;N,2,4,5-tetramethyl-3-piperidin-1-yl-6-propan-2-ylaniline;N,2,4,5-tetramethyl-6-propan-2-yl-3-pyrrolidin-1-ylaniline
SMILESCC.CC.CNc1c(C)c(N2CCCC2)c(C)c(C)c1C(C)C.CNc1c(C)c(N2CCCCC2)c(C)c(C)c1C(C)C
InChIInChI=1S/C18H30N2.C17H28N2.2C2H6/c1-12(2)16-13(3)14(4)18(15(5)17(16)19-6)20-10-8-7-9-11-20;1-11(2)15-12(3)13(4)17(14(5)16(15)18-6)19-9-7-8-10-19;2*1-2/h12,19H,7-11H2,1-6H3;11,18H,7-10H2,1-6H3;2*1-2H3
InChIKeySKSXFKGRIQWHNS-UHFFFAOYSA-N
XLogP11.20
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.02
LogP ≤ 511.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethane;N,2,4,5-tetramethyl-3-piperidin-1-yl-6-propan-2-ylaniline;N,2,4,5-tetramethyl-6-propan-2-yl-3-pyrrolidin-1-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2,4,5-tetramethyl-3-piperidin-1-yl-6-propan-2-ylaniline
CID 160863043
1-[2,6-di(propan-2-yl)phenyl]piperidine
CID 10634131
3,5,6-trimethyl-4-piperidin-1-yl-1H-pyridine-2-thione
CID 143681669
2-methyl-1,3-di(propan-2-yl)-5,6,7,8-tetrahydroindolizine
CID 139302594
2-(azepan-1-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 62913450
6-(azetidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine;ethane
CID 91242494
N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 7060595
6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804448
1-(azepan-1-yl)-N,3-dimethylisoquinolin-4-amine
CID 82572469
5-amino-2-(3,3-difluoropyrrolidin-1-yl)-3-methyl-4-(methylamino)benzoic acid
CID 88531708
40,41-dimethyl-1,20-diazatricyclo[18.18.4.239,42]tetratetraconta-39,41,43-triene
CID 177473830
N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283919

Frequently Asked Questions

What is the IUPAC name of ethane;N,2,4,5-tetramethyl-3-piperidin-1-yl-6-propan-2-ylaniline;N,2,4,5-tetramethyl-6-propan-2-yl-3-pyrrolidin-1-ylaniline?
The IUPAC name of ethane;N,2,4,5-tetramethyl-3-piperidin-1-yl-6-propan-2-ylaniline;N,2,4,5-tetramethyl-6-propan-2-yl-3-pyrrolidin-1-ylaniline (CID 160863041) is ethane;N,2,4,5-tetramethyl-3-piperidin-1-yl-6-propan-2-ylaniline;N,2,4,5-tetramethyl-6-propan-2-yl-3-pyrrolidin-1-ylaniline.
What is the SMILES notation for ethane;N,2,4,5-tetramethyl-3-piperidin-1-yl-6-propan-2-ylaniline;N,2,4,5-tetramethyl-6-propan-2-yl-3-pyrrolidin-1-ylaniline?
The canonical SMILES for ethane;N,2,4,5-tetramethyl-3-piperidin-1-yl-6-propan-2-ylaniline;N,2,4,5-tetramethyl-6-propan-2-yl-3-pyrrolidin-1-ylaniline is CC.CC.CNc1c(C)c(N2CCCC2)c(C)c(C)c1C(C)C.CNc1c(C)c(N2CCCCC2)c(C)c(C)c1C(C)C.
What is the InChIKey of ethane;N,2,4,5-tetramethyl-3-piperidin-1-yl-6-propan-2-ylaniline;N,2,4,5-tetramethyl-6-propan-2-yl-3-pyrrolidin-1-ylaniline?
The InChIKey is SKSXFKGRIQWHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2.C17H28N2.2C2H6/c1-12(2)16-13(3)14(4)18(15(5)17(16)19-6)20-10-8-7-9-11-20;1-11(2)15-12(3)13(4)17(14(5)16(15)18-6)19-9-7-8-10-19;2*1-2/h12,19H,7-11H2,1-6H3;11,18H,7-10H2,1-6H3;2*1-2H3.
What are the key properties of ethane;N,2,4,5-tetramethyl-3-piperidin-1-yl-6-propan-2-ylaniline;N,2,4,5-tetramethyl-6-propan-2-yl-3-pyrrolidin-1-ylaniline?
ethane;N,2,4,5-tetramethyl-3-piperidin-1-yl-6-propan-2-ylaniline;N,2,4,5-tetramethyl-6-propan-2-yl-3-pyrrolidin-1-ylaniline has a molecular weight of 595.02 g/mol, XLogP of 11.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,2,4,5-tetramethyl-3-piperidin-1-yl-6-propan-2-ylaniline;N,2,4,5-tetramethyl-6-propan-2-yl-3-pyrrolidin-1-ylaniline is sourced from PubChem (CID 160863041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).