N-(ethyliminomethylideneamino)-N-methylbutan-2-amine

C8H17N3 — CID 87926002

IUPACN-(ethyliminomethylideneamino)-N-methylbutan-2-amine
SMILESCCN=C=NN(C)C(C)CC
InChIInChI=1S/C8H17N3/c1-5-8(3)11(4)10-7-9-6-2/h8H,5-6H2,1-4H3
InChIKeyBGNHSWVNGBMFMR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.83
Rot. Bonds4

About N-(ethyliminomethylideneamino)-N-methylbutan-2-amine

N-(ethyliminomethylideneamino)-N-methylbutan-2-amine (PubChem CID 87926002) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(ethyliminomethylideneamino)-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-(ethyliminomethylideneamino)-N-methylbutan-2-amine
PubChem CID87926002
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC NameN-(ethyliminomethylideneamino)-N-methylbutan-2-amine
SMILESCCN=C=NN(C)C(C)CC
InChIInChI=1S/C8H17N3/c1-5-8(3)11(4)10-7-9-6-2/h8H,5-6H2,1-4H3
InChIKeyBGNHSWVNGBMFMR-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-3-diisopropylaminocarbodiimide
CID 21186952
Dimethylamino-ethyl-(propyliminomethylidene)azanium
CID 18621174
N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine;hydrochloride
CID 22042041
Dimethylamino-ethyl-(propyliminomethylidene)azanium;hydrochloride
CID 22457602
Dimethylamino-(ethyliminomethylidene)-propylazanium;hydrochloride
CID 22596243
Dimethylamino-(ethyliminomethylidene)-propylazanium
CID 22596244
N-methyl-N-(methyliminomethylideneamino)butan-2-amine
CID 53629834
(Diethylhydrazinylidene)methylidene-ethyl-propylazanium
CID 53691980
N-ethyl-N-(propyliminomethylideneamino)ethanamine
CID 53851150
Ethyl-dimethyl-(propyliminomethylideneamino)azanium
CID 53968908
[Ethyl(methyl)amino]-methyl-(propyliminomethylidene)azanium
CID 54048061
(Dimethylhydrazinylidene)methylidene-ethyl-propan-2-ylazanium
CID 54248011

Frequently Asked Questions

What is the IUPAC name of N-(ethyliminomethylideneamino)-N-methylbutan-2-amine?
The IUPAC name of N-(ethyliminomethylideneamino)-N-methylbutan-2-amine (CID 87926002) is N-(ethyliminomethylideneamino)-N-methylbutan-2-amine.
What is the SMILES notation for N-(ethyliminomethylideneamino)-N-methylbutan-2-amine?
The canonical SMILES for N-(ethyliminomethylideneamino)-N-methylbutan-2-amine is CCN=C=NN(C)C(C)CC.
What is the InChIKey of N-(ethyliminomethylideneamino)-N-methylbutan-2-amine?
The InChIKey is BGNHSWVNGBMFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-5-8(3)11(4)10-7-9-6-2/h8H,5-6H2,1-4H3.
What are the key properties of N-(ethyliminomethylideneamino)-N-methylbutan-2-amine?
N-(ethyliminomethylideneamino)-N-methylbutan-2-amine has a molecular weight of 155.24 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethyliminomethylideneamino)-N-methylbutan-2-amine is sourced from PubChem (CID 87926002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).