1-[2-(propylamino)propoxy]propan-2-amine

C9H22N2O — CID 59834050

IUPAC1-[2-(propylamino)propoxy]propan-2-amine
SMILESCCCNC(C)COCC(C)N
InChIInChI=1S/C9H22N2O/c1-4-5-11-9(3)7-12-6-8(2)10/h8-9,11H,4-7,10H2,1-3H3
InChIKeyMYHJLXZBYDDLEF-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.74
Rot. Bonds7

About 1-[2-(propylamino)propoxy]propan-2-amine

1-[2-(propylamino)propoxy]propan-2-amine (PubChem CID 59834050) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-[2-(propylamino)propoxy]propan-2-amine.

Molecular Properties

Compound Name1-[2-(propylamino)propoxy]propan-2-amine
PubChem CID59834050
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name1-[2-(propylamino)propoxy]propan-2-amine
SMILESCCCNC(C)COCC(C)N
InChIInChI=1S/C9H22N2O/c1-4-5-11-9(3)7-12-6-8(2)10/h8-9,11H,4-7,10H2,1-3H3
InChIKeyMYHJLXZBYDDLEF-UHFFFAOYSA-N
XLogP0.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethylbutoxy)-N-propylpropan-2-amine
CID 66232455
3-[1-(2-aminopropoxy)propan-2-ylamino]-N-[2-[2-[2-[2-[3-[1-(2-aminopropoxy)propan-2-ylamino]propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide
CID 118629494
5-methoxy-4-methyl-N-propylpentan-2-amine
CID 79569722
N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-aminopropoxy)propan-2-ylamino]propanamide
CID 118629495
1-N'-propylethane-1,1-diamine;hydrochloride
CID 140981166
1-[1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-ylamino]propan-2-ol
CID 59847764
1-(2-methylpropoxy)-N-propylbutan-2-amine
CID 62041041
4,5-dimethyl-N-propylheptan-2-amine
CID 79443938
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine
CID 104562069
1-ethoxy-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
CID 115713728
methanamine;N-propan-2-ylpropan-1-amine
CID 156646096
1-(2-butoxyethoxy)propan-2-amine
CID 43127528

Frequently Asked Questions

What is the IUPAC name of 1-[2-(propylamino)propoxy]propan-2-amine?
The IUPAC name of 1-[2-(propylamino)propoxy]propan-2-amine (CID 59834050) is 1-[2-(propylamino)propoxy]propan-2-amine.
What is the SMILES notation for 1-[2-(propylamino)propoxy]propan-2-amine?
The canonical SMILES for 1-[2-(propylamino)propoxy]propan-2-amine is CCCNC(C)COCC(C)N.
What is the InChIKey of 1-[2-(propylamino)propoxy]propan-2-amine?
The InChIKey is MYHJLXZBYDDLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-4-5-11-9(3)7-12-6-8(2)10/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 1-[2-(propylamino)propoxy]propan-2-amine?
1-[2-(propylamino)propoxy]propan-2-amine has a molecular weight of 174.29 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propylamino)propoxy]propan-2-amine is sourced from PubChem (CID 59834050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).