N-prop-2-enylpropan-1-imine;[(Z)-propylideneamino]methanamine

C10H21N3 — CID 144511969

IUPACN-prop-2-enylpropan-1-imine;[(Z)-propylideneamino]methanamine
SMILESC=CC/N=C/CC.CC/C=N\CN
InChIInChI=1S/C6H11N.C4H10N2/c1-3-5-7-6-4-2;1-2-3-6-4-5/h3,6H,1,4-5H2,2H3;3H,2,4-5H2,1H3/b7-6+;6-3-
InChIKeyXSRXYGMWGCXHJG-CMYMLBKKSA-N
MW183.30 g/mol
LogP2.04
Rot. Bonds5

About N-prop-2-enylpropan-1-imine;[(Z)-propylideneamino]methanamine

N-prop-2-enylpropan-1-imine;[(Z)-propylideneamino]methanamine (PubChem CID 144511969) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N-prop-2-enylpropan-1-imine;[(Z)-propylideneamino]methanamine.

Molecular Properties

Compound NameN-prop-2-enylpropan-1-imine;[(Z)-propylideneamino]methanamine
PubChem CID144511969
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN-prop-2-enylpropan-1-imine;[(Z)-propylideneamino]methanamine
SMILESC=CC/N=C/CC.CC/C=N\CN
InChIInChI=1S/C6H11N.C4H10N2/c1-3-5-7-6-4-2;1-2-3-6-4-5/h3,6H,1,4-5H2,2H3;3H,2,4-5H2,1H3/b7-6+;6-3-
InChIKeyXSRXYGMWGCXHJG-CMYMLBKKSA-N
XLogP2.04
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylpropan-1-imine;[(Z)-propylideneamino]methanamine?
The IUPAC name of N-prop-2-enylpropan-1-imine;[(Z)-propylideneamino]methanamine (CID 144511969) is N-prop-2-enylpropan-1-imine;[(Z)-propylideneamino]methanamine.
What is the SMILES notation for N-prop-2-enylpropan-1-imine;[(Z)-propylideneamino]methanamine?
The canonical SMILES for N-prop-2-enylpropan-1-imine;[(Z)-propylideneamino]methanamine is C=CC/N=C/CC.CC/C=N\CN.
What is the InChIKey of N-prop-2-enylpropan-1-imine;[(Z)-propylideneamino]methanamine?
The InChIKey is XSRXYGMWGCXHJG-CMYMLBKKSA-N. The full InChI is InChI=1S/C6H11N.C4H10N2/c1-3-5-7-6-4-2;1-2-3-6-4-5/h3,6H,1,4-5H2,2H3;3H,2,4-5H2,1H3/b7-6+;6-3-.
What are the key properties of N-prop-2-enylpropan-1-imine;[(Z)-propylideneamino]methanamine?
N-prop-2-enylpropan-1-imine;[(Z)-propylideneamino]methanamine has a molecular weight of 183.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylpropan-1-imine;[(Z)-propylideneamino]methanamine is sourced from PubChem (CID 144511969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).