N-ethyl-N-prop-2-enylprop-2-en-1-amine;nitric acid

C8H16N2O3 — CID 173177498

IUPACN-ethyl-N-prop-2-enylprop-2-en-1-amine;nitric acid
SMILESC=CCN(CC)CC=C.O=[N+]([O-])O
InChIInChI=1S/C8H15N.HNO3/c1-4-7-9(6-3)8-5-2;2-1(3)4/h4-5H,1-2,6-8H2,3H3;(H,2,3,4)
InChIKeyIXWKSJIHGHGSLU-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.33
Rot. Bonds5

About N-ethyl-N-prop-2-enylprop-2-en-1-amine;nitric acid

N-ethyl-N-prop-2-enylprop-2-en-1-amine;nitric acid (PubChem CID 173177498) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is N-ethyl-N-prop-2-enylprop-2-en-1-amine;nitric acid.

Molecular Properties

Compound NameN-ethyl-N-prop-2-enylprop-2-en-1-amine;nitric acid
PubChem CID173177498
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC NameN-ethyl-N-prop-2-enylprop-2-en-1-amine;nitric acid
SMILESC=CCN(CC)CC=C.O=[N+]([O-])O
InChIInChI=1S/C8H15N.HNO3/c1-4-7-9(6-3)8-5-2;2-1(3)4/h4-5H,1-2,6-8H2,3H3;(H,2,3,4)
InChIKeyIXWKSJIHGHGSLU-UHFFFAOYSA-N
XLogP1.33
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-ethyl-N-prop-2-enylprop-2-en-1-amine;nitric acid?
The IUPAC name of N-ethyl-N-prop-2-enylprop-2-en-1-amine;nitric acid (CID 173177498) is N-ethyl-N-prop-2-enylprop-2-en-1-amine;nitric acid.
What is the SMILES notation for N-ethyl-N-prop-2-enylprop-2-en-1-amine;nitric acid?
The canonical SMILES for N-ethyl-N-prop-2-enylprop-2-en-1-amine;nitric acid is C=CCN(CC)CC=C.O=[N+]([O-])O.
What is the InChIKey of N-ethyl-N-prop-2-enylprop-2-en-1-amine;nitric acid?
The InChIKey is IXWKSJIHGHGSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.HNO3/c1-4-7-9(6-3)8-5-2;2-1(3)4/h4-5H,1-2,6-8H2,3H3;(H,2,3,4).
What are the key properties of N-ethyl-N-prop-2-enylprop-2-en-1-amine;nitric acid?
N-ethyl-N-prop-2-enylprop-2-en-1-amine;nitric acid has a molecular weight of 188.23 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-2-enylprop-2-en-1-amine;nitric acid is sourced from PubChem (CID 173177498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).