N,N-diethyl-1-(iminomethylideneamino)propan-1-amine

C8H17N3 — CID 18706097

IUPACN,N-diethyl-1-(iminomethylideneamino)propan-1-amine
SMILESCCC(N=C=N)N(CC)CC
InChIInChI=1S/C8H17N3/c1-4-8(10-7-9)11(5-2)6-3/h8-9H,4-6H2,1-3H3
InChIKeyBPXXDGYHYFRXFT-UHFFFAOYSA-N
MW155.25 g/mol
LogP1.82
Rot. Bonds5

About N,N-diethyl-1-(iminomethylideneamino)propan-1-amine

N,N-diethyl-1-(iminomethylideneamino)propan-1-amine (PubChem CID 18706097) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is N,N-diethyl-1-(iminomethylideneamino)propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1-(iminomethylideneamino)propan-1-amine
PubChem CID18706097
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC NameN,N-diethyl-1-(iminomethylideneamino)propan-1-amine
SMILESCCC(N=C=N)N(CC)CC
InChIInChI=1S/C8H17N3/c1-4-8(10-7-9)11(5-2)6-3/h8-9H,4-6H2,1-3H3
InChIKeyBPXXDGYHYFRXFT-UHFFFAOYSA-N
XLogP1.82
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-diethyl-1-(iminomethylideneamino)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(iminomethylideneamino)propan-1-amine?
The IUPAC name of N,N-diethyl-1-(iminomethylideneamino)propan-1-amine (CID 18706097) is N,N-diethyl-1-(iminomethylideneamino)propan-1-amine.
What is the SMILES notation for N,N-diethyl-1-(iminomethylideneamino)propan-1-amine?
The canonical SMILES for N,N-diethyl-1-(iminomethylideneamino)propan-1-amine is CCC(N=C=N)N(CC)CC.
What is the InChIKey of N,N-diethyl-1-(iminomethylideneamino)propan-1-amine?
The InChIKey is BPXXDGYHYFRXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-4-8(10-7-9)11(5-2)6-3/h8-9H,4-6H2,1-3H3.
What are the key properties of N,N-diethyl-1-(iminomethylideneamino)propan-1-amine?
N,N-diethyl-1-(iminomethylideneamino)propan-1-amine has a molecular weight of 155.25 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(iminomethylideneamino)propan-1-amine is sourced from PubChem (CID 18706097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).