3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine

C8H17N3 — CID 15908

IUPAC3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
SMILESCCN=C=NCCCN(C)C
InChIInChI=1S/C8H17N3/c1-4-9-8-10-6-5-7-11(2)3/h4-7H2,1-3H3
InChIKeyLMDZBCPBFSXMTL-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.13
Rot. Bonds5

About 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine

3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine (PubChem CID 15908) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
PubChem CID15908
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
SMILESCCN=C=NCCCN(C)C
InChIInChI=1S/C8H17N3/c1-4-9-8-10-6-5-7-11(2)3/h4-7H2,1-3H3
InChIKeyLMDZBCPBFSXMTL-UHFFFAOYSA-N
XLogP1.13
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.13
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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Related Compounds

1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride
CID 2723939
1-(3-(Dimethylamino)propyl)-3-ethylcarbodiimide methiodide
CID 122242
Ammonium, (3-(((butylimino)methylene)amino)propyl)trimethyl-, iodide
CID 52140
3-(Ethyliminomethylideneamino)propyl-trimethylazanium
CID 122243
3-(butyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 305905
1-(3-Diethylaminopropyl)-3-ethylcarbodiimide hydrochloride
CID 9964512
1-Ethyl-3-(3-diethylaminopropyl)carbodiimide
CID 9964513
N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide methyliodide
CID 10236463
N,N-dimethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine
CID 15700476
3-Dimethylaminopropylcarbodiimide
CID 19063555
N-ethyl-N-(dimethylaminopropyl)carbodiimide
CID 19969141
(3-Diethylaminopropyl)-carbodiimide
CID 21571300

Frequently Asked Questions

What is the IUPAC name of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine (CID 15908) is 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine is CCN=C=NCCCN(C)C.
What is the InChIKey of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine?
The InChIKey is LMDZBCPBFSXMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-4-9-8-10-6-5-7-11(2)3/h4-7H2,1-3H3.
What are the key properties of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine?
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 15908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).