3,3-diphenylpropan-1-amine;N-ethylethanamine;methanesulfonamide;3-methylpiperidine;4-piperidin-1-ylpiperidin-1-amine

C36H67N7O2S — CID 70201610

IUPAC3,3-diphenylpropan-1-amine;N-ethylethanamine;methanesulfonamide;3-methylpiperidine;4-piperidin-1-ylpiperidin-1-amine
SMILESCC1CCCNC1.CCNCC.CS(N)(=O)=O.NCCC(c1ccccc1)c1ccccc1.NN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H17N.C10H21N3.C6H13N.C4H11N.CH5NO2S/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;11-13-8-4-10(5-9-13)12-6-2-1-3-7-12;1-6-3-2-4-7-5-6;1-3-5-4-2;1-5(2,3)4/h1-10,15H,11-12,16H2;10H,1-9,11H2;6-7H,2-5H2,1H3;5H,3-4H2,1-2H3;1H3,(H2,2,3,4)
InChIKeyYCUFDWYXJYFOHR-UHFFFAOYSA-N
MW662.05 g/mol
LogP4.50
Rot. Bonds7

About 3,3-diphenylpropan-1-amine;N-ethylethanamine;methanesulfonamide;3-methylpiperidine;4-piperidin-1-ylpiperidin-1-amine

3,3-diphenylpropan-1-amine;N-ethylethanamine;methanesulfonamide;3-methylpiperidine;4-piperidin-1-ylpiperidin-1-amine (PubChem CID 70201610) has the molecular formula C36H67N7O2S and a molecular weight of 662.05 g/mol. Its IUPAC name is 3,3-diphenylpropan-1-amine;N-ethylethanamine;methanesulfonamide;3-methylpiperidine;4-piperidin-1-ylpiperidin-1-amine.

Molecular Properties

Compound Name3,3-diphenylpropan-1-amine;N-ethylethanamine;methanesulfonamide;3-methylpiperidine;4-piperidin-1-ylpiperidin-1-amine
PubChem CID70201610
Molecular FormulaC36H67N7O2S
Molecular Weight662.05 g/mol
Exact Mass661.51
IUPAC Name3,3-diphenylpropan-1-amine;N-ethylethanamine;methanesulfonamide;3-methylpiperidine;4-piperidin-1-ylpiperidin-1-amine
SMILESCC1CCCNC1.CCNCC.CS(N)(=O)=O.NCCC(c1ccccc1)c1ccccc1.NN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H17N.C10H21N3.C6H13N.C4H11N.CH5NO2S/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;11-13-8-4-10(5-9-13)12-6-2-1-3-7-12;1-6-3-2-4-7-5-6;1-3-5-4-2;1-5(2,3)4/h1-10,15H,11-12,16H2;10H,1-9,11H2;6-7H,2-5H2,1H3;5H,3-4H2,1-2H3;1H3,(H2,2,3,4)
InChIKeyYCUFDWYXJYFOHR-UHFFFAOYSA-N
XLogP4.50
TPSA142.74 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500662.05
LogP ≤ 54.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-diphenylpropan-1-amine;N-ethylethanamine;methanesulfonamide;3-methylpiperidine;4-piperidin-1-ylpiperidin-1-amine?
The IUPAC name of 3,3-diphenylpropan-1-amine;N-ethylethanamine;methanesulfonamide;3-methylpiperidine;4-piperidin-1-ylpiperidin-1-amine (CID 70201610) is 3,3-diphenylpropan-1-amine;N-ethylethanamine;methanesulfonamide;3-methylpiperidine;4-piperidin-1-ylpiperidin-1-amine.
What is the SMILES notation for 3,3-diphenylpropan-1-amine;N-ethylethanamine;methanesulfonamide;3-methylpiperidine;4-piperidin-1-ylpiperidin-1-amine?
The canonical SMILES for 3,3-diphenylpropan-1-amine;N-ethylethanamine;methanesulfonamide;3-methylpiperidine;4-piperidin-1-ylpiperidin-1-amine is CC1CCCNC1.CCNCC.CS(N)(=O)=O.NCCC(c1ccccc1)c1ccccc1.NN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 3,3-diphenylpropan-1-amine;N-ethylethanamine;methanesulfonamide;3-methylpiperidine;4-piperidin-1-ylpiperidin-1-amine?
The InChIKey is YCUFDWYXJYFOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N.C10H21N3.C6H13N.C4H11N.CH5NO2S/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;11-13-8-4-10(5-9-13)12-6-2-1-3-7-12;1-6-3-2-4-7-5-6;1-3-5-4-2;1-5(2,3)4/h1-10,15H,11-12,16H2;10H,1-9,11H2;6-7H,2-5H2,1H3;5H,3-4H2,1-2H3;1H3,(H2,2,3,4).
What are the key properties of 3,3-diphenylpropan-1-amine;N-ethylethanamine;methanesulfonamide;3-methylpiperidine;4-piperidin-1-ylpiperidin-1-amine?
3,3-diphenylpropan-1-amine;N-ethylethanamine;methanesulfonamide;3-methylpiperidine;4-piperidin-1-ylpiperidin-1-amine has a molecular weight of 662.05 g/mol, XLogP of 4.50, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenylpropan-1-amine;N-ethylethanamine;methanesulfonamide;3-methylpiperidine;4-piperidin-1-ylpiperidin-1-amine is sourced from PubChem (CID 70201610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).