1-amino-3-[ethyl(2-methylpropyl)amino]propan-2-ol

C9H22N2O — CID 43273601

IUPAC1-amino-3-[ethyl(2-methylpropyl)amino]propan-2-ol
SMILESCCN(CC(C)C)CC(O)CN
InChIInChI=1S/C9H22N2O/c1-4-11(6-8(2)3)7-9(12)5-10/h8-9,12H,4-7,10H2,1-3H3
InChIKeyGGSWRELLYBOXFF-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.28
Rot. Bonds6

About 1-amino-3-[ethyl(2-methylpropyl)amino]propan-2-ol

1-amino-3-[ethyl(2-methylpropyl)amino]propan-2-ol (PubChem CID 43273601) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-amino-3-[ethyl(2-methylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[ethyl(2-methylpropyl)amino]propan-2-ol
PubChem CID43273601
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name1-amino-3-[ethyl(2-methylpropyl)amino]propan-2-ol
SMILESCCN(CC(C)C)CC(O)CN
InChIInChI=1S/C9H22N2O/c1-4-11(6-8(2)3)7-9(12)5-10/h8-9,12H,4-7,10H2,1-3H3
InChIKeyGGSWRELLYBOXFF-UHFFFAOYSA-N
XLogP0.28
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-amino-3-(diethylamino)propan-2-ol
CID 7000197
1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol
CID 115474899
1-amino-3-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 61447893
6-amino-1-(diethylamino)hexane-2,3,5-triol
CID 19100456
1-amino-3-[5,5-dimethylhexyl(ethyl)amino]propan-2-ol
CID 58761117
1-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylpropyl)amino]ethanol
CID 43273373
N-ethyl-2-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 89326365
N-ethyl-N'-(2-methylpropyl)-N,N'-dipropylethane-1,2-diamine
CID 123205995
1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 43650469
1-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butan-2-ol
CID 64822021
1-amino-4-[ethyl(2-methylpropyl)amino]-2-methylbutan-2-ol
CID 64820540
2-[ethyl(2-methylpropyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949371

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[ethyl(2-methylpropyl)amino]propan-2-ol?
The IUPAC name of 1-amino-3-[ethyl(2-methylpropyl)amino]propan-2-ol (CID 43273601) is 1-amino-3-[ethyl(2-methylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[ethyl(2-methylpropyl)amino]propan-2-ol?
The canonical SMILES for 1-amino-3-[ethyl(2-methylpropyl)amino]propan-2-ol is CCN(CC(C)C)CC(O)CN.
What is the InChIKey of 1-amino-3-[ethyl(2-methylpropyl)amino]propan-2-ol?
The InChIKey is GGSWRELLYBOXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-4-11(6-8(2)3)7-9(12)5-10/h8-9,12H,4-7,10H2,1-3H3.
What are the key properties of 1-amino-3-[ethyl(2-methylpropyl)amino]propan-2-ol?
1-amino-3-[ethyl(2-methylpropyl)amino]propan-2-ol has a molecular weight of 174.29 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[ethyl(2-methylpropyl)amino]propan-2-ol is sourced from PubChem (CID 43273601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).