ethene;N-methyl-N-(propyliminomethylideneamino)methanamine

C8H17N3 — CID 174595552

IUPACethene;N-methyl-N-(propyliminomethylideneamino)methanamine
SMILESC=C.CCCN=C=NN(C)C
InChIInChI=1S/C6H13N3.C2H4/c1-4-5-7-6-8-9(2)3;1-2/h4-5H2,1-3H3;1-2H2
InChIKeyGCVGYEBVYKKDJZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.85
Rot. Bonds3

About ethene;N-methyl-N-(propyliminomethylideneamino)methanamine

ethene;N-methyl-N-(propyliminomethylideneamino)methanamine (PubChem CID 174595552) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is ethene;N-methyl-N-(propyliminomethylideneamino)methanamine.

Molecular Properties

Compound Nameethene;N-methyl-N-(propyliminomethylideneamino)methanamine
PubChem CID174595552
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Nameethene;N-methyl-N-(propyliminomethylideneamino)methanamine
SMILESC=C.CCCN=C=NN(C)C
InChIInChI=1S/C6H13N3.C2H4/c1-4-5-7-6-8-9(2)3;1-2/h4-5H2,1-3H3;1-2H2
InChIKeyGCVGYEBVYKKDJZ-UHFFFAOYSA-N
XLogP1.85
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dipropylmethanediimine
CID 12725951
N,N-dimethylmethanamine;N-ethyl-N'-propylmethanediimine
CID 174940022
N-methyl-N'-propylmethanediimine
CID 18695318
N,N-dimethyl-3-(propyliminomethylideneamino)propan-1-amine
CID 11480685
N'-pentyl-N-propylmethanediimine
CID 88904849
N-(propyliminomethylideneamino)methanamine
CID 176541672
N-(propyliminomethylidene)methanesulfonamide
CID 119096603
ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 87575427
N-(ethyliminomethylideneamino)-N-methylbutan-2-amine
CID 87926002
2-(butyliminomethylideneamino)-N,N-dimethylethanamine
CID 134871643
dimethylamino-ethyl-(propyliminomethylidene)azanium;hydrochloride
CID 22457602
N,N'-dioctadecylmethanediimine
CID 10918627

Frequently Asked Questions

What is the IUPAC name of ethene;N-methyl-N-(propyliminomethylideneamino)methanamine?
The IUPAC name of ethene;N-methyl-N-(propyliminomethylideneamino)methanamine (CID 174595552) is ethene;N-methyl-N-(propyliminomethylideneamino)methanamine.
What is the SMILES notation for ethene;N-methyl-N-(propyliminomethylideneamino)methanamine?
The canonical SMILES for ethene;N-methyl-N-(propyliminomethylideneamino)methanamine is C=C.CCCN=C=NN(C)C.
What is the InChIKey of ethene;N-methyl-N-(propyliminomethylideneamino)methanamine?
The InChIKey is GCVGYEBVYKKDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3.C2H4/c1-4-5-7-6-8-9(2)3;1-2/h4-5H2,1-3H3;1-2H2.
What are the key properties of ethene;N-methyl-N-(propyliminomethylideneamino)methanamine?
ethene;N-methyl-N-(propyliminomethylideneamino)methanamine has a molecular weight of 155.24 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-methyl-N-(propyliminomethylideneamino)methanamine is sourced from PubChem (CID 174595552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).