N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;formaldehyde;methanamine

C15H31N3O3 — CID 145162115

IUPACN-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;formaldehyde;methanamine
SMILESC=CCON(C=O)[C@H]1CN(C)CC=C1C.C=O.CC.CN
InChIInChI=1S/C11H18N2O2.C2H6.CH5N.CH2O/c1-4-7-15-13(9-14)11-8-12(3)6-5-10(11)2;3*1-2/h4-5,9,11H,1,6-8H2,2-3H3;1-2H3;2H2,1H3;1H2/t11-;;;/m0.../s1
InChIKeyFGNOZRYMUMANEL-XVSRHIFFSA-N
MW301.43 g/mol
LogP1.24
Rot. Bonds5

About N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;formaldehyde;methanamine

N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;formaldehyde;methanamine (PubChem CID 145162115) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;formaldehyde;methanamine.

Molecular Properties

Compound NameN-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;formaldehyde;methanamine
PubChem CID145162115
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC NameN-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;formaldehyde;methanamine
SMILESC=CCON(C=O)[C@H]1CN(C)CC=C1C.C=O.CC.CN
InChIInChI=1S/C11H18N2O2.C2H6.CH5N.CH2O/c1-4-7-15-13(9-14)11-8-12(3)6-5-10(11)2;3*1-2/h4-5,9,11H,1,6-8H2,2-3H3;1-2H3;2H2,1H3;1H2/t11-;;;/m0.../s1
InChIKeyFGNOZRYMUMANEL-XVSRHIFFSA-N
XLogP1.24
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;formaldehyde;methanamine?
The IUPAC name of N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;formaldehyde;methanamine (CID 145162115) is N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;formaldehyde;methanamine.
What is the SMILES notation for N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;formaldehyde;methanamine?
The canonical SMILES for N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;formaldehyde;methanamine is C=CCON(C=O)[C@H]1CN(C)CC=C1C.C=O.CC.CN.
What is the InChIKey of N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;formaldehyde;methanamine?
The InChIKey is FGNOZRYMUMANEL-XVSRHIFFSA-N. The full InChI is InChI=1S/C11H18N2O2.C2H6.CH5N.CH2O/c1-4-7-15-13(9-14)11-8-12(3)6-5-10(11)2;3*1-2/h4-5,9,11H,1,6-8H2,2-3H3;1-2H3;2H2,1H3;1H2/t11-;;;/m0.../s1.
What are the key properties of N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;formaldehyde;methanamine?
N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;formaldehyde;methanamine has a molecular weight of 301.43 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;formaldehyde;methanamine is sourced from PubChem (CID 145162115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).