1-(ethyliminomethylideneamino)butan-1-amine

C7H15N3 — CID 87880759

IUPAC1-(ethyliminomethylideneamino)butan-1-amine
SMILESCCCC(N)N=C=NCC
InChIInChI=1S/C7H15N3/c1-3-5-7(8)10-6-9-4-2/h7H,3-5,8H2,1-2H3
InChIKeyPALDSZYDGUMQAT-UHFFFAOYSA-N
MW141.22 g/mol
LogP1.27
Rot. Bonds4

About 1-(ethyliminomethylideneamino)butan-1-amine

1-(ethyliminomethylideneamino)butan-1-amine (PubChem CID 87880759) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 1-(ethyliminomethylideneamino)butan-1-amine.

Molecular Properties

Compound Name1-(ethyliminomethylideneamino)butan-1-amine
PubChem CID87880759
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name1-(ethyliminomethylideneamino)butan-1-amine
SMILESCCCC(N)N=C=NCC
InChIInChI=1S/C7H15N3/c1-3-5-7(8)10-6-9-4-2/h7H,3-5,8H2,1-2H3
InChIKeyPALDSZYDGUMQAT-UHFFFAOYSA-N
XLogP1.27
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(ethyliminomethylideneamino)butan-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

Related Compounds

1-(ethyliminomethylideneamino)-N-methylpropan-1-amine;hydrochloride
CID 87886193
(4R,5R)-octane-4,5-diamine
CID 13138963
N,N-dimethylmethanamine;N-ethyl-N'-propylmethanediimine
CID 174940022
[3-(dimethylamino)-1-(ethyliminomethylideneamino)propyl]phosphonic acid
CID 25127996
N-ethyl-N'-(4-methylpentyl)methanediimine chloride
CID 169423866
azane;heptan-4-amine
CID 118430725
butane-1,1-diamine;platinum
CID 88509821
butane-1,1-diamine;copper
CID 158312531
(2S)-pentan-2-amine
CID 6997344
N-[1-(ethyliminomethylideneamino)propyl]-N-methylsulfonylmethanesulfonamide;hydrochloride
CID 87084347
pentan-2-amine;propane
CID 166536368
(ethyliminomethylideneamino)-dimethyl-propylazanium
CID 87891574

Frequently Asked Questions

What is the IUPAC name of 1-(ethyliminomethylideneamino)butan-1-amine?
The IUPAC name of 1-(ethyliminomethylideneamino)butan-1-amine (CID 87880759) is 1-(ethyliminomethylideneamino)butan-1-amine.
What is the SMILES notation for 1-(ethyliminomethylideneamino)butan-1-amine?
The canonical SMILES for 1-(ethyliminomethylideneamino)butan-1-amine is CCCC(N)N=C=NCC.
What is the InChIKey of 1-(ethyliminomethylideneamino)butan-1-amine?
The InChIKey is PALDSZYDGUMQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-3-5-7(8)10-6-9-4-2/h7H,3-5,8H2,1-2H3.
What are the key properties of 1-(ethyliminomethylideneamino)butan-1-amine?
1-(ethyliminomethylideneamino)butan-1-amine has a molecular weight of 141.22 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethyliminomethylideneamino)butan-1-amine is sourced from PubChem (CID 87880759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).