1-[2-(2-aminopropoxy)prop-2-enoxy]propan-2-amine

C9H20N2O2 — CID 163514564

IUPAC1-[2-(2-aminopropoxy)prop-2-enoxy]propan-2-amine
SMILESC=C(COCC(C)N)OCC(C)N
InChIInChI=1S/C9H20N2O2/c1-7(10)4-12-6-9(3)13-5-8(2)11/h7-8H,3-6,10-11H2,1-2H3
InChIKeyDFPDXVGHNCTOIY-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.23
Rot. Bonds7

About 1-[2-(2-aminopropoxy)prop-2-enoxy]propan-2-amine

1-[2-(2-aminopropoxy)prop-2-enoxy]propan-2-amine (PubChem CID 163514564) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-[2-(2-aminopropoxy)prop-2-enoxy]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-aminopropoxy)prop-2-enoxy]propan-2-amine
PubChem CID163514564
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name1-[2-(2-aminopropoxy)prop-2-enoxy]propan-2-amine
SMILESC=C(COCC(C)N)OCC(C)N
InChIInChI=1S/C9H20N2O2/c1-7(10)4-12-6-9(3)13-5-8(2)11/h7-8H,3-6,10-11H2,1-2H3
InChIKeyDFPDXVGHNCTOIY-UHFFFAOYSA-N
XLogP0.23
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-2-aminopropoxy]ethanol
CID 21097963
(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
CID 106447202
(2S)-4-methyl-1-(2-methylprop-2-enoxy)pentan-2-amine
CID 58738316
2-(2-aminopropoxy)ethyl prop-2-enoate
CID 54040503
1-[2-(1-aminoethoxy)ethoxy]propan-2-amine
CID 153419048
(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
CID 104560725
1-[2-(propylamino)propoxy]propan-2-amine
CID 59834050
2-(2-aminopropoxy)ethanol;2-methylbut-2-ene
CID 174594441
1-[2-(dimethylamino)ethoxy]propan-2-amine
CID 164578140
1-[(2-methoxyethylamino)methoxy]propan-2-amine
CID 118516518
(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
CID 103939491
2-aminopropyl butanoate
CID 87536199

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminopropoxy)prop-2-enoxy]propan-2-amine?
The IUPAC name of 1-[2-(2-aminopropoxy)prop-2-enoxy]propan-2-amine (CID 163514564) is 1-[2-(2-aminopropoxy)prop-2-enoxy]propan-2-amine.
What is the SMILES notation for 1-[2-(2-aminopropoxy)prop-2-enoxy]propan-2-amine?
The canonical SMILES for 1-[2-(2-aminopropoxy)prop-2-enoxy]propan-2-amine is C=C(COCC(C)N)OCC(C)N.
What is the InChIKey of 1-[2-(2-aminopropoxy)prop-2-enoxy]propan-2-amine?
The InChIKey is DFPDXVGHNCTOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(10)4-12-6-9(3)13-5-8(2)11/h7-8H,3-6,10-11H2,1-2H3.
What are the key properties of 1-[2-(2-aminopropoxy)prop-2-enoxy]propan-2-amine?
1-[2-(2-aminopropoxy)prop-2-enoxy]propan-2-amine has a molecular weight of 188.27 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminopropoxy)prop-2-enoxy]propan-2-amine is sourced from PubChem (CID 163514564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).