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

C9H23N3O2 — CID 144584893

IUPAC2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol;ethane
SMILESCC.CCOC/C(N)=C/N(N)CCO
InChIInChI=1S/C7H17N3O2.C2H6/c1-2-12-6-7(8)5-10(9)3-4-11;1-2/h5,11H,2-4,6,8-9H2,1H3;1-2H3/b7-5-;
InChIKeyDGIDCZTUOLNMLB-YJOCEBFMSA-N
MW205.30 g/mol
LogP0.02
Rot. Bonds6

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

2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol;ethane (PubChem CID 144584893) has the molecular formula C9H23N3O2 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol;ethane.

Molecular Properties

Compound Name2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol;ethane
PubChem CID144584893
Molecular FormulaC9H23N3O2
Molecular Weight205.30 g/mol
Exact Mass205.18
IUPAC Name2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol;ethane
SMILESCC.CCOC/C(N)=C/N(N)CCO
InChIInChI=1S/C7H17N3O2.C2H6/c1-2-12-6-7(8)5-10(9)3-4-11;1-2/h5,11H,2-4,6,8-9H2,1H3;1-2H3/b7-5-;
InChIKeyDGIDCZTUOLNMLB-YJOCEBFMSA-N
XLogP0.02
TPSA84.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.02
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

1-[amino-[(Z)-2-amino-3-propoxyprop-1-enyl]amino]propan-2-one
CID 142369657
2-[bis(2-hydroxyethyl)amino]ethanol;ethoxyethane
CID 22156510
(Z)-1-[amino(2-methoxyethyl)amino]but-1-en-2-amine
CID 145256992
2-[2-[2-[2-[5-[2-[2-[amino-[(Z)-2-amino-3-prop-1-en-2-yloxyprop-1-enyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethanol;ethane;formamide;N-methylpropan-1-amine
CID 170596571
3-[2-[2-[amino-[(Z)-2-amino-3-(2-propoxyethoxy)prop-1-enyl]amino]ethoxy]ethoxy]-N-(4-hydroxyphenyl)propanamide
CID 166479274
2-[bis(2-hydroxyethyl)amino]ethanol;ethyl carbamate
CID 174889330
2-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 115775668
(Z)-1-[amino(hexyl)amino]pent-1-en-2-amine
CID 145052913
2-[amino-[(Z)-2-amino-3-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-enyl]amino]ethylcarbamic acid
CID 172595597
tris(ethane-1,2-diol);ethoxyethane
CID 173395808
azane;ethoxyethane;hydroxylamine
CID 173273228
(Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine;ethane
CID 171532216

Frequently Asked Questions

What is the IUPAC name of 2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol;ethane?
The IUPAC name of 2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol;ethane (CID 144584893) is 2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol;ethane.
What is the SMILES notation for 2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol;ethane?
The canonical SMILES for 2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol;ethane is CC.CCOC/C(N)=C/N(N)CCO.
What is the InChIKey of 2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol;ethane?
The InChIKey is DGIDCZTUOLNMLB-YJOCEBFMSA-N. The full InChI is InChI=1S/C7H17N3O2.C2H6/c1-2-12-6-7(8)5-10(9)3-4-11;1-2/h5,11H,2-4,6,8-9H2,1H3;1-2H3/b7-5-;.
What are the key properties of 2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol;ethane?
2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol;ethane has a molecular weight of 205.30 g/mol, XLogP of 0.02, 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;ethane is sourced from PubChem (CID 144584893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).