[3-(ethyliminomethylideneamino)propyl-(hydroxymethyl)amino]methanol

C8H17N3O2 — CID 152553088

IUPAC[3-(ethyliminomethylideneamino)propyl-(hydroxymethyl)amino]methanol
SMILESCCN=C=NCCCN(CO)CO
InChIInChI=1S/C8H17N3O2/c1-2-9-6-10-4-3-5-11(7-12)8-13/h12-13H,2-5,7-8H2,1H3
InChIKeyYNXAEMXYHPRQSU-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.23
Rot. Bonds7

About [3-(ethyliminomethylideneamino)propyl-(hydroxymethyl)amino]methanol

[3-(ethyliminomethylideneamino)propyl-(hydroxymethyl)amino]methanol (PubChem CID 152553088) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is [3-(ethyliminomethylideneamino)propyl-(hydroxymethyl)amino]methanol.

Molecular Properties

Compound Name[3-(ethyliminomethylideneamino)propyl-(hydroxymethyl)amino]methanol
PubChem CID152553088
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name[3-(ethyliminomethylideneamino)propyl-(hydroxymethyl)amino]methanol
SMILESCCN=C=NCCCN(CO)CO
InChIInChI=1S/C8H17N3O2/c1-2-9-6-10-4-3-5-11(7-12)8-13/h12-13H,2-5,7-8H2,1H3
InChIKeyYNXAEMXYHPRQSU-UHFFFAOYSA-N
XLogP-0.23
TPSA68.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 146446789
3-(ethyliminomethylideneamino)-N,N-bis(sulfanyl)propan-1-amine
CID 150563881
butan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 170171084
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;silver;hydrochloride
CID 174929426
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 174499626
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;propan-2-one
CID 158337348
ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 87575427
N,N-diethyl-2-(ethyliminomethylideneamino)ethanamine
CID 87926600
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane
CID 87433592
acetic acid;azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;dihydrochloride
CID 173056526
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N-ethyl-N-propan-2-ylpropan-2-amine
CID 86755171
trisodium;dihydrogen phosphate;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrogen phosphate;hydrochloride
CID 174942509

Frequently Asked Questions

What is the IUPAC name of [3-(ethyliminomethylideneamino)propyl-(hydroxymethyl)amino]methanol?
The IUPAC name of [3-(ethyliminomethylideneamino)propyl-(hydroxymethyl)amino]methanol (CID 152553088) is [3-(ethyliminomethylideneamino)propyl-(hydroxymethyl)amino]methanol.
What is the SMILES notation for [3-(ethyliminomethylideneamino)propyl-(hydroxymethyl)amino]methanol?
The canonical SMILES for [3-(ethyliminomethylideneamino)propyl-(hydroxymethyl)amino]methanol is CCN=C=NCCCN(CO)CO.
What is the InChIKey of [3-(ethyliminomethylideneamino)propyl-(hydroxymethyl)amino]methanol?
The InChIKey is YNXAEMXYHPRQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-2-9-6-10-4-3-5-11(7-12)8-13/h12-13H,2-5,7-8H2,1H3.
What are the key properties of [3-(ethyliminomethylideneamino)propyl-(hydroxymethyl)amino]methanol?
[3-(ethyliminomethylideneamino)propyl-(hydroxymethyl)amino]methanol has a molecular weight of 187.24 g/mol, XLogP of -0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethyliminomethylideneamino)propyl-(hydroxymethyl)amino]methanol is sourced from PubChem (CID 152553088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).