N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine

C8H17N3 — CID 87275018

IUPACN,N-dimethyl-1-(propyliminomethylideneamino)ethanamine
SMILESCCCN=C=NC(C)N(C)C
InChIInChI=1S/C8H17N3/c1-5-6-9-7-10-8(2)11(3)4/h8H,5-6H2,1-4H3
InChIKeyZUHYCZFQKZRNJA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.48
Rot. Bonds4

About N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine

N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine (PubChem CID 87275018) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(propyliminomethylideneamino)ethanamine
PubChem CID87275018
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC NameN,N-dimethyl-1-(propyliminomethylideneamino)ethanamine
SMILESCCCN=C=NC(C)N(C)C
InChIInChI=1S/C8H17N3/c1-5-6-9-7-10-8(2)11(3)4/h8H,5-6H2,1-4H3
InChIKeyZUHYCZFQKZRNJA-UHFFFAOYSA-N
XLogP1.48
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,N-dimethyl-1-(propyliminomethylideneamino)ethanamine?
The IUPAC name of N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine (CID 87275018) is N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine.
What is the SMILES notation for N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine?
The canonical SMILES for N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine is CCCN=C=NC(C)N(C)C.
What is the InChIKey of N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine?
The InChIKey is ZUHYCZFQKZRNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-5-6-9-7-10-8(2)11(3)4/h8H,5-6H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine?
N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine has a molecular weight of 155.24 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine is sourced from PubChem (CID 87275018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).