N-ethenyl-N-methyl-1-(propylideneamino)prop-1-en-2-amine

C9H16N2 — CID 123782593

IUPACN-ethenyl-N-methyl-1-(propylideneamino)prop-1-en-2-amine
SMILESC=CN(C)C(C)=C/N=C/CC
InChIInChI=1S/C9H16N2/c1-5-7-10-8-9(3)11(4)6-2/h6-8H,2,5H2,1,3-4H3/b9-8?,10-7+
InChIKeyRAAKGWXNDRZCCC-GLNSQRODSA-N
MW152.24 g/mol
LogP2.40
Rot. Bonds4

About N-ethenyl-N-methyl-1-(propylideneamino)prop-1-en-2-amine

N-ethenyl-N-methyl-1-(propylideneamino)prop-1-en-2-amine (PubChem CID 123782593) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-ethenyl-N-methyl-1-(propylideneamino)prop-1-en-2-amine.

Molecular Properties

Compound NameN-ethenyl-N-methyl-1-(propylideneamino)prop-1-en-2-amine
PubChem CID123782593
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-ethenyl-N-methyl-1-(propylideneamino)prop-1-en-2-amine
SMILESC=CN(C)C(C)=C/N=C/CC
InChIInChI=1S/C9H16N2/c1-5-7-10-8-9(3)11(4)6-2/h6-8H,2,5H2,1,3-4H3/b9-8?,10-7+
InChIKeyRAAKGWXNDRZCCC-GLNSQRODSA-N
XLogP2.40
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
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-ethenyl-N-methyl-1-(propylideneamino)prop-1-en-2-amine?
The IUPAC name of N-ethenyl-N-methyl-1-(propylideneamino)prop-1-en-2-amine (CID 123782593) is N-ethenyl-N-methyl-1-(propylideneamino)prop-1-en-2-amine.
What is the SMILES notation for N-ethenyl-N-methyl-1-(propylideneamino)prop-1-en-2-amine?
The canonical SMILES for N-ethenyl-N-methyl-1-(propylideneamino)prop-1-en-2-amine is C=CN(C)C(C)=C/N=C/CC.
What is the InChIKey of N-ethenyl-N-methyl-1-(propylideneamino)prop-1-en-2-amine?
The InChIKey is RAAKGWXNDRZCCC-GLNSQRODSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-7-10-8-9(3)11(4)6-2/h6-8H,2,5H2,1,3-4H3/b9-8?,10-7+.
What are the key properties of N-ethenyl-N-methyl-1-(propylideneamino)prop-1-en-2-amine?
N-ethenyl-N-methyl-1-(propylideneamino)prop-1-en-2-amine has a molecular weight of 152.24 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-methyl-1-(propylideneamino)prop-1-en-2-amine is sourced from PubChem (CID 123782593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).