N-ethylethanamine;molecular hydrogen;N-[3-(2-oxa-5-azabicyclo[9.4.0]pentadeca-1(11),12-dien-10-yl)propyl]hydroxylamine

C20H43N3O2 — CID 143559725

IUPACN-ethylethanamine;molecular hydrogen;N-[3-(2-oxa-5-azabicyclo[9.4.0]pentadeca-1(11),12-dien-10-yl)propyl]hydroxylamine
SMILESCCNCC.ONCCCC1CCCCNCCOC2=C1C=CCC2.[H][H].[H][H]
InChIInChI=1S/C16H28N2O2.C4H11N.2H2/c19-18-11-5-7-14-6-3-4-10-17-12-13-20-16-9-2-1-8-15(14)16;1-3-5-4-2;;/h1,8,14,17-19H,2-7,9-13H2;5H,3-4H2,1-2H3;2*1H
InChIKeyIAQVHZFTYQLHBX-UHFFFAOYSA-N
MW357.58 g/mol
LogP3.86
Rot. Bonds6

About N-ethylethanamine;molecular hydrogen;N-[3-(2-oxa-5-azabicyclo[9.4.0]pentadeca-1(11),12-dien-10-yl)propyl]hydroxylamine

N-ethylethanamine;molecular hydrogen;N-[3-(2-oxa-5-azabicyclo[9.4.0]pentadeca-1(11),12-dien-10-yl)propyl]hydroxylamine (PubChem CID 143559725) has the molecular formula C20H43N3O2 and a molecular weight of 357.58 g/mol. Its IUPAC name is N-ethylethanamine;molecular hydrogen;N-[3-(2-oxa-5-azabicyclo[9.4.0]pentadeca-1(11),12-dien-10-yl)propyl]hydroxylamine.

Molecular Properties

Compound NameN-ethylethanamine;molecular hydrogen;N-[3-(2-oxa-5-azabicyclo[9.4.0]pentadeca-1(11),12-dien-10-yl)propyl]hydroxylamine
PubChem CID143559725
Molecular FormulaC20H43N3O2
Molecular Weight357.58 g/mol
Exact Mass357.34
IUPAC NameN-ethylethanamine;molecular hydrogen;N-[3-(2-oxa-5-azabicyclo[9.4.0]pentadeca-1(11),12-dien-10-yl)propyl]hydroxylamine
SMILESCCNCC.ONCCCC1CCCCNCCOC2=C1C=CCC2.[H][H].[H][H]
InChIInChI=1S/C16H28N2O2.C4H11N.2H2/c19-18-11-5-7-14-6-3-4-10-17-12-13-20-16-9-2-1-8-15(14)16;1-3-5-4-2;;/h1,8,14,17-19H,2-7,9-13H2;5H,3-4H2,1-2H3;2*1H
InChIKeyIAQVHZFTYQLHBX-UHFFFAOYSA-N
XLogP3.86
TPSA65.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.58
LogP ≤ 53.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-ethylethanamine;molecular hydrogen;N-[3-(2-oxa-5-azabicyclo[9.4.0]pentadeca-1(11),12-dien-10-yl)propyl]hydroxylamine?
The IUPAC name of N-ethylethanamine;molecular hydrogen;N-[3-(2-oxa-5-azabicyclo[9.4.0]pentadeca-1(11),12-dien-10-yl)propyl]hydroxylamine (CID 143559725) is N-ethylethanamine;molecular hydrogen;N-[3-(2-oxa-5-azabicyclo[9.4.0]pentadeca-1(11),12-dien-10-yl)propyl]hydroxylamine.
What is the SMILES notation for N-ethylethanamine;molecular hydrogen;N-[3-(2-oxa-5-azabicyclo[9.4.0]pentadeca-1(11),12-dien-10-yl)propyl]hydroxylamine?
The canonical SMILES for N-ethylethanamine;molecular hydrogen;N-[3-(2-oxa-5-azabicyclo[9.4.0]pentadeca-1(11),12-dien-10-yl)propyl]hydroxylamine is CCNCC.ONCCCC1CCCCNCCOC2=C1C=CCC2.[H][H].[H][H].
What is the InChIKey of N-ethylethanamine;molecular hydrogen;N-[3-(2-oxa-5-azabicyclo[9.4.0]pentadeca-1(11),12-dien-10-yl)propyl]hydroxylamine?
The InChIKey is IAQVHZFTYQLHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2.C4H11N.2H2/c19-18-11-5-7-14-6-3-4-10-17-12-13-20-16-9-2-1-8-15(14)16;1-3-5-4-2;;/h1,8,14,17-19H,2-7,9-13H2;5H,3-4H2,1-2H3;2*1H.
What are the key properties of N-ethylethanamine;molecular hydrogen;N-[3-(2-oxa-5-azabicyclo[9.4.0]pentadeca-1(11),12-dien-10-yl)propyl]hydroxylamine?
N-ethylethanamine;molecular hydrogen;N-[3-(2-oxa-5-azabicyclo[9.4.0]pentadeca-1(11),12-dien-10-yl)propyl]hydroxylamine has a molecular weight of 357.58 g/mol, XLogP of 3.86, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;molecular hydrogen;N-[3-(2-oxa-5-azabicyclo[9.4.0]pentadeca-1(11),12-dien-10-yl)propyl]hydroxylamine is sourced from PubChem (CID 143559725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).