N-(2-iminoethyl)-N-prop-1-enylprop-1-en-1-amine

C8H14N2 — CID 91078370

IUPACN-(2-iminoethyl)-N-prop-1-enylprop-1-en-1-amine
SMILES[H]/N=C/CN(C=CC)C=CC
InChIInChI=1S/C8H14N2/c1-3-6-10(7-4-2)8-5-9/h3-7,9H,8H2,1-2H3/b6-3?,7-4?,9-5+
InChIKeyXGUWWIQPSDONMC-YEBPJMDBSA-N
MW138.21 g/mol
LogP2.01
Rot. Bonds4

About N-(2-iminoethyl)-N-prop-1-enylprop-1-en-1-amine

N-(2-iminoethyl)-N-prop-1-enylprop-1-en-1-amine (PubChem CID 91078370) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-(2-iminoethyl)-N-prop-1-enylprop-1-en-1-amine.

Molecular Properties

Compound NameN-(2-iminoethyl)-N-prop-1-enylprop-1-en-1-amine
PubChem CID91078370
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-(2-iminoethyl)-N-prop-1-enylprop-1-en-1-amine
SMILES[H]/N=C/CN(C=CC)C=CC
InChIInChI=1S/C8H14N2/c1-3-6-10(7-4-2)8-5-9/h3-7,9H,8H2,1-2H3/b6-3?,7-4?,9-5+
InChIKeyXGUWWIQPSDONMC-YEBPJMDBSA-N
XLogP2.01
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-iminoethyl)-N-prop-1-enylprop-1-en-1-amine?
The IUPAC name of N-(2-iminoethyl)-N-prop-1-enylprop-1-en-1-amine (CID 91078370) is N-(2-iminoethyl)-N-prop-1-enylprop-1-en-1-amine.
What is the SMILES notation for N-(2-iminoethyl)-N-prop-1-enylprop-1-en-1-amine?
The canonical SMILES for N-(2-iminoethyl)-N-prop-1-enylprop-1-en-1-amine is [H]/N=C/CN(C=CC)C=CC.
What is the InChIKey of N-(2-iminoethyl)-N-prop-1-enylprop-1-en-1-amine?
The InChIKey is XGUWWIQPSDONMC-YEBPJMDBSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-6-10(7-4-2)8-5-9/h3-7,9H,8H2,1-2H3/b6-3?,7-4?,9-5+.
What are the key properties of N-(2-iminoethyl)-N-prop-1-enylprop-1-en-1-amine?
N-(2-iminoethyl)-N-prop-1-enylprop-1-en-1-amine has a molecular weight of 138.21 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iminoethyl)-N-prop-1-enylprop-1-en-1-amine is sourced from PubChem (CID 91078370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).