1-[2-(propan-2-ylamino)ethylamino]propan-2-ol

C8H20N2O — CID 104594507

IUPAC1-[2-(propan-2-ylamino)ethylamino]propan-2-ol
SMILESCC(O)CNCCNC(C)C
InChIInChI=1S/C8H20N2O/c1-7(2)10-5-4-9-6-8(3)11/h7-11H,4-6H2,1-3H3
InChIKeyKVFOIXDQOATMLD-UHFFFAOYSA-N
MW160.26 g/mol
LogP-0.05
Rot. Bonds6

About 1-[2-(propan-2-ylamino)ethylamino]propan-2-ol

1-[2-(propan-2-ylamino)ethylamino]propan-2-ol (PubChem CID 104594507) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-[2-(propan-2-ylamino)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(propan-2-ylamino)ethylamino]propan-2-ol
PubChem CID104594507
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name1-[2-(propan-2-ylamino)ethylamino]propan-2-ol
SMILESCC(O)CNCCNC(C)C
InChIInChI=1S/C8H20N2O/c1-7(2)10-5-4-9-6-8(3)11/h7-11H,4-6H2,1-3H3
InChIKeyKVFOIXDQOATMLD-UHFFFAOYSA-N
XLogP-0.05
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[2-(methylamino)ethylamino]propan-2-ol
CID 143132001
1-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 21493190
1-(2-hydroxypropylamino)propan-2-ol;methane
CID 161456696
1-(2-hydroxypropylamino)propan-2-ol;zinc
CID 175137712
1-(2-hydroxyethylamino)propan-2-ol;propane
CID 145289862
5-[[(2R)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131822
N-ethyl-N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine
CID 126619829
2-hydroxy-1-[2-(sulfamoylamino)ethylamino]propane
CID 114959448
1-(pentylamino)propan-2-ol
CID 3016247
1-(3-silylpropylamino)propan-2-ol
CID 165030604
(2R)-1-(2-methylpropylamino)propan-2-ol
CID 777887
1-(hydroxymethylamino)propan-2-ol
CID 3018672

Frequently Asked Questions

What is the IUPAC name of 1-[2-(propan-2-ylamino)ethylamino]propan-2-ol?
The IUPAC name of 1-[2-(propan-2-ylamino)ethylamino]propan-2-ol (CID 104594507) is 1-[2-(propan-2-ylamino)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-(propan-2-ylamino)ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-(propan-2-ylamino)ethylamino]propan-2-ol is CC(O)CNCCNC(C)C.
What is the InChIKey of 1-[2-(propan-2-ylamino)ethylamino]propan-2-ol?
The InChIKey is KVFOIXDQOATMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-7(2)10-5-4-9-6-8(3)11/h7-11H,4-6H2,1-3H3.
What are the key properties of 1-[2-(propan-2-ylamino)ethylamino]propan-2-ol?
1-[2-(propan-2-ylamino)ethylamino]propan-2-ol has a molecular weight of 160.26 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propan-2-ylamino)ethylamino]propan-2-ol is sourced from PubChem (CID 104594507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).