N,N-diethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine

C11H23N3 — CID 20542240

IUPACN,N-diethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine
SMILESCCN(CC)CCCN=C=NC(C)C
InChIInChI=1S/C11H23N3/c1-5-14(6-2)9-7-8-12-10-13-11(3)4/h11H,5-9H2,1-4H3
InChIKeyGXBUDKQFSZDRHN-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.30
Rot. Bonds7

About N,N-diethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine

N,N-diethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine (PubChem CID 20542240) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N,N-diethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine
PubChem CID20542240
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN,N-diethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine
SMILESCCN(CC)CCCN=C=NC(C)C
InChIInChI=1S/C11H23N3/c1-5-14(6-2)9-7-8-12-10-13-11(3)4/h11H,5-9H2,1-4H3
InChIKeyGXBUDKQFSZDRHN-UHFFFAOYSA-N
XLogP2.30
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine?
The IUPAC name of N,N-diethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine (CID 20542240) is N,N-diethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine?
The canonical SMILES for N,N-diethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine is CCN(CC)CCCN=C=NC(C)C.
What is the InChIKey of N,N-diethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine?
The InChIKey is GXBUDKQFSZDRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-5-14(6-2)9-7-8-12-10-13-11(3)4/h11H,5-9H2,1-4H3.
What are the key properties of N,N-diethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine?
N,N-diethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine has a molecular weight of 197.33 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine is sourced from PubChem (CID 20542240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).