1-[(ethylideneamino)-(2-hydroxypropyl)amino]propan-2-ol

C8H18N2O2 — CID 171780139

IUPAC1-[(ethylideneamino)-(2-hydroxypropyl)amino]propan-2-ol
SMILESCC=NN(CC(C)O)CC(C)O
InChIInChI=1S/C8H18N2O2/c1-4-9-10(5-7(2)11)6-8(3)12/h4,7-8,11-12H,5-6H2,1-3H3
InChIKeyWYYMJGHQHPZZDA-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.06
Rot. Bonds5

About 1-[(ethylideneamino)-(2-hydroxypropyl)amino]propan-2-ol

1-[(ethylideneamino)-(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 171780139) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-[(ethylideneamino)-(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(ethylideneamino)-(2-hydroxypropyl)amino]propan-2-ol
PubChem CID171780139
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1-[(ethylideneamino)-(2-hydroxypropyl)amino]propan-2-ol
SMILESCC=NN(CC(C)O)CC(C)O
InChIInChI=1S/C8H18N2O2/c1-4-9-10(5-7(2)11)6-8(3)12/h4,7-8,11-12H,5-6H2,1-3H3
InChIKeyWYYMJGHQHPZZDA-UHFFFAOYSA-N
XLogP0.06
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 92557045
1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol
CID 20820329
(2S)-1-[amino(methyl)amino]propan-2-ol
CID 124512357
(2S)-1-[methyl(propan-2-yl)amino]propan-2-ol
CID 93346500
1-[3-(dimethylamino)propyl-prop-1-enylamino]propan-2-ol
CID 118162050
1-[ethyl(hydroxymethyl)amino]propan-2-ol
CID 22642430
1-[methylamino(sulfanyl)amino]propan-2-ol
CID 174895381
1-[2-hydroxyprop-2-enyl(2-hydroxypropyl)amino]propan-2-ol
CID 163906636
2-[cyanomethyl-[(2R)-2-hydroxypropyl]amino]acetonitrile
CID 106932699
N-(2-hydroxypropyl)-N-methylpropanamide
CID 18720717
(Z,2E)-2-ethylidene-N-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 145367899
N,N-diethyl-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62332611

Frequently Asked Questions

What is the IUPAC name of 1-[(ethylideneamino)-(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[(ethylideneamino)-(2-hydroxypropyl)amino]propan-2-ol (CID 171780139) is 1-[(ethylideneamino)-(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[(ethylideneamino)-(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[(ethylideneamino)-(2-hydroxypropyl)amino]propan-2-ol is CC=NN(CC(C)O)CC(C)O.
What is the InChIKey of 1-[(ethylideneamino)-(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is WYYMJGHQHPZZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-4-9-10(5-7(2)11)6-8(3)12/h4,7-8,11-12H,5-6H2,1-3H3.
What are the key properties of 1-[(ethylideneamino)-(2-hydroxypropyl)amino]propan-2-ol?
1-[(ethylideneamino)-(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 174.24 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(ethylideneamino)-(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 171780139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).