2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol

C7H17N3O2 — CID 144584894

IUPAC2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol
SMILESCCOC/C(N)=C/N(N)CCO
InChIInChI=1S/C7H17N3O2/c1-2-12-6-7(8)5-10(9)3-4-11/h5,11H,2-4,6,8-9H2,1H3/b7-5-
InChIKeyGLSFTRIRLHNDIS-ALCCZGGFSA-N
MW175.23 g/mol
LogP-1.01
Rot. Bonds6

About 2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol

2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol (PubChem CID 144584894) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol
PubChem CID144584894
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Name2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol
SMILESCCOC/C(N)=C/N(N)CCO
InChIInChI=1S/C7H17N3O2/c1-2-12-6-7(8)5-10(9)3-4-11/h5,11H,2-4,6,8-9H2,1H3/b7-5-
InChIKeyGLSFTRIRLHNDIS-ALCCZGGFSA-N
XLogP-1.01
TPSA84.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol;ethane
CID 144584893
(Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine;methoxyethane;prop-1-ene
CID 145160419
(Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol;ethane
CID 145396356
(Z)-1-[amino(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine;ethane
CID 164586106
(Z)-1-[amino(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine;ethane
CID 164586117
(Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine;ethane
CID 167461864
(Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine
CID 167461865
(Z)-1-[amino(methyl)amino]-3-[2-(2-propoxyethoxy)ethoxy]prop-1-en-2-amine
CID 169884635
2-[2-[2-[2-[amino-[(Z)-2-aminoprop-1-enyl]amino]ethoxy]ethoxy]ethoxy]ethanol
CID 144268074
(Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine
CID 145160420
(Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol
CID 145396355
(Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol
CID 145396357

Frequently Asked Questions

What is the IUPAC name of 2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol?
The IUPAC name of 2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol (CID 144584894) is 2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol.
What is the SMILES notation for 2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol?
The canonical SMILES for 2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol is CCOC/C(N)=C/N(N)CCO.
What is the InChIKey of 2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol?
The InChIKey is GLSFTRIRLHNDIS-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-2-12-6-7(8)5-10(9)3-4-11/h5,11H,2-4,6,8-9H2,1H3/b7-5-.
What are the key properties of 2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol?
2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol has a molecular weight of 175.23 g/mol, XLogP of -1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol is sourced from PubChem (CID 144584894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).