N-amino-N-[(4-ethoxy-2,6-dimethoxyphenyl)methyl]formamide;5-methylpiperidin-3-amine

C18H32N4O4 — CID 143390457

IUPACN-amino-N-[(4-ethoxy-2,6-dimethoxyphenyl)methyl]formamide;5-methylpiperidin-3-amine
SMILESCC1CNCC(N)C1.CCOc1cc(OC)c(CN(N)C=O)c(OC)c1
InChIInChI=1S/C12H18N2O4.C6H14N2/c1-4-18-9-5-11(16-2)10(7-14(13)8-15)12(6-9)17-3;1-5-2-6(7)4-8-3-5/h5-6,8H,4,7,13H2,1-3H3;5-6,8H,2-4,7H2,1H3
InChIKeyIUIJVRGXRSTLHH-UHFFFAOYSA-N
MW368.48 g/mol
LogP0.88
Rot. Bonds7

About N-amino-N-[(4-ethoxy-2,6-dimethoxyphenyl)methyl]formamide;5-methylpiperidin-3-amine

N-amino-N-[(4-ethoxy-2,6-dimethoxyphenyl)methyl]formamide;5-methylpiperidin-3-amine (PubChem CID 143390457) has the molecular formula C18H32N4O4 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-amino-N-[(4-ethoxy-2,6-dimethoxyphenyl)methyl]formamide;5-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-amino-N-[(4-ethoxy-2,6-dimethoxyphenyl)methyl]formamide;5-methylpiperidin-3-amine
PubChem CID143390457
Molecular FormulaC18H32N4O4
Molecular Weight368.48 g/mol
Exact Mass368.24
IUPAC NameN-amino-N-[(4-ethoxy-2,6-dimethoxyphenyl)methyl]formamide;5-methylpiperidin-3-amine
SMILESCC1CNCC(N)C1.CCOc1cc(OC)c(CN(N)C=O)c(OC)c1
InChIInChI=1S/C12H18N2O4.C6H14N2/c1-4-18-9-5-11(16-2)10(7-14(13)8-15)12(6-9)17-3;1-5-2-6(7)4-8-3-5/h5-6,8H,4,7,13H2,1-3H3;5-6,8H,2-4,7H2,1H3
InChIKeyIUIJVRGXRSTLHH-UHFFFAOYSA-N
XLogP0.88
TPSA112.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 N-amino-N-[(4-ethoxy-2,6-dimethoxyphenyl)methyl]formamide;5-methylpiperidin-3-amine?
The IUPAC name of N-amino-N-[(4-ethoxy-2,6-dimethoxyphenyl)methyl]formamide;5-methylpiperidin-3-amine (CID 143390457) is N-amino-N-[(4-ethoxy-2,6-dimethoxyphenyl)methyl]formamide;5-methylpiperidin-3-amine.
What is the SMILES notation for N-amino-N-[(4-ethoxy-2,6-dimethoxyphenyl)methyl]formamide;5-methylpiperidin-3-amine?
The canonical SMILES for N-amino-N-[(4-ethoxy-2,6-dimethoxyphenyl)methyl]formamide;5-methylpiperidin-3-amine is CC1CNCC(N)C1.CCOc1cc(OC)c(CN(N)C=O)c(OC)c1.
What is the InChIKey of N-amino-N-[(4-ethoxy-2,6-dimethoxyphenyl)methyl]formamide;5-methylpiperidin-3-amine?
The InChIKey is IUIJVRGXRSTLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4.C6H14N2/c1-4-18-9-5-11(16-2)10(7-14(13)8-15)12(6-9)17-3;1-5-2-6(7)4-8-3-5/h5-6,8H,4,7,13H2,1-3H3;5-6,8H,2-4,7H2,1H3.
What are the key properties of N-amino-N-[(4-ethoxy-2,6-dimethoxyphenyl)methyl]formamide;5-methylpiperidin-3-amine?
N-amino-N-[(4-ethoxy-2,6-dimethoxyphenyl)methyl]formamide;5-methylpiperidin-3-amine has a molecular weight of 368.48 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-[(4-ethoxy-2,6-dimethoxyphenyl)methyl]formamide;5-methylpiperidin-3-amine is sourced from PubChem (CID 143390457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).