1-[[6-[(Z)-1-amino-2-[amino(methyl)amino]-3-hydroxyprop-1-enyl]-2-ethyl-3-pyridinyl]methyl]-5,5-difluoropiperidine-3-carbaldehyde;methoxymethane

C20H33F2N5O3 — CID 162730260

IUPAC1-[[6-[(Z)-1-amino-2-[amino(methyl)amino]-3-hydroxyprop-1-enyl]-2-ethyl-3-pyridinyl]methyl]-5,5-difluoropiperidine-3-carbaldehyde;methoxymethane
SMILESCCc1nc(/C(N)=C(\CO)N(C)N)ccc1CN1CC(C=O)CC(F)(F)C1.COC
InChIInChI=1S/C18H27F2N5O2.C2H6O/c1-3-14-13(8-25-7-12(9-26)6-18(19,20)11-25)4-5-15(23-14)17(21)16(10-27)24(2)22;1-3-2/h4-5,9,12,27H,3,6-8,10-11,21-22H2,1-2H3;1-2H3/b17-16-;
InChIKeyYOYDSVFPPNTYPG-XYJRJTJESA-N
MW429.51 g/mol
LogP0.99
Rot. Bonds7

About 1-[[6-[(Z)-1-amino-2-[amino(methyl)amino]-3-hydroxyprop-1-enyl]-2-ethyl-3-pyridinyl]methyl]-5,5-difluoropiperidine-3-carbaldehyde;methoxymethane

1-[[6-[(Z)-1-amino-2-[amino(methyl)amino]-3-hydroxyprop-1-enyl]-2-ethyl-3-pyridinyl]methyl]-5,5-difluoropiperidine-3-carbaldehyde;methoxymethane (PubChem CID 162730260) has the molecular formula C20H33F2N5O3 and a molecular weight of 429.51 g/mol. Its IUPAC name is 1-[[6-[(Z)-1-amino-2-[amino(methyl)amino]-3-hydroxyprop-1-enyl]-2-ethyl-3-pyridinyl]methyl]-5,5-difluoropiperidine-3-carbaldehyde;methoxymethane.

Molecular Properties

Compound Name1-[[6-[(Z)-1-amino-2-[amino(methyl)amino]-3-hydroxyprop-1-enyl]-2-ethyl-3-pyridinyl]methyl]-5,5-difluoropiperidine-3-carbaldehyde;methoxymethane
PubChem CID162730260
Molecular FormulaC20H33F2N5O3
Molecular Weight429.51 g/mol
Exact Mass429.26
IUPAC Name1-[[6-[(Z)-1-amino-2-[amino(methyl)amino]-3-hydroxyprop-1-enyl]-2-ethyl-3-pyridinyl]methyl]-5,5-difluoropiperidine-3-carbaldehyde;methoxymethane
SMILESCCc1nc(/C(N)=C(\CO)N(C)N)ccc1CN1CC(C=O)CC(F)(F)C1.COC
InChIInChI=1S/C18H27F2N5O2.C2H6O/c1-3-14-13(8-25-7-12(9-26)6-18(19,20)11-25)4-5-15(23-14)17(21)16(10-27)24(2)22;1-3-2/h4-5,9,12,27H,3,6-8,10-11,21-22H2,1-2H3;1-2H3/b17-16-;
InChIKeyYOYDSVFPPNTYPG-XYJRJTJESA-N
XLogP0.99
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(Z)-1-amino-2-[amino(methyl)amino]-3-hydroxyprop-1-enyl]-2-ethyl-3-pyridinyl]methyl]-5,5-difluoropiperidine-3-carbaldehyde;methoxymethane?
The IUPAC name of 1-[[6-[(Z)-1-amino-2-[amino(methyl)amino]-3-hydroxyprop-1-enyl]-2-ethyl-3-pyridinyl]methyl]-5,5-difluoropiperidine-3-carbaldehyde;methoxymethane (CID 162730260) is 1-[[6-[(Z)-1-amino-2-[amino(methyl)amino]-3-hydroxyprop-1-enyl]-2-ethyl-3-pyridinyl]methyl]-5,5-difluoropiperidine-3-carbaldehyde;methoxymethane.
What is the SMILES notation for 1-[[6-[(Z)-1-amino-2-[amino(methyl)amino]-3-hydroxyprop-1-enyl]-2-ethyl-3-pyridinyl]methyl]-5,5-difluoropiperidine-3-carbaldehyde;methoxymethane?
The canonical SMILES for 1-[[6-[(Z)-1-amino-2-[amino(methyl)amino]-3-hydroxyprop-1-enyl]-2-ethyl-3-pyridinyl]methyl]-5,5-difluoropiperidine-3-carbaldehyde;methoxymethane is CCc1nc(/C(N)=C(\CO)N(C)N)ccc1CN1CC(C=O)CC(F)(F)C1.COC.
What is the InChIKey of 1-[[6-[(Z)-1-amino-2-[amino(methyl)amino]-3-hydroxyprop-1-enyl]-2-ethyl-3-pyridinyl]methyl]-5,5-difluoropiperidine-3-carbaldehyde;methoxymethane?
The InChIKey is YOYDSVFPPNTYPG-XYJRJTJESA-N. The full InChI is InChI=1S/C18H27F2N5O2.C2H6O/c1-3-14-13(8-25-7-12(9-26)6-18(19,20)11-25)4-5-15(23-14)17(21)16(10-27)24(2)22;1-3-2/h4-5,9,12,27H,3,6-8,10-11,21-22H2,1-2H3;1-2H3/b17-16-;.
What are the key properties of 1-[[6-[(Z)-1-amino-2-[amino(methyl)amino]-3-hydroxyprop-1-enyl]-2-ethyl-3-pyridinyl]methyl]-5,5-difluoropiperidine-3-carbaldehyde;methoxymethane?
1-[[6-[(Z)-1-amino-2-[amino(methyl)amino]-3-hydroxyprop-1-enyl]-2-ethyl-3-pyridinyl]methyl]-5,5-difluoropiperidine-3-carbaldehyde;methoxymethane has a molecular weight of 429.51 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(Z)-1-amino-2-[amino(methyl)amino]-3-hydroxyprop-1-enyl]-2-ethyl-3-pyridinyl]methyl]-5,5-difluoropiperidine-3-carbaldehyde;methoxymethane is sourced from PubChem (CID 162730260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).