1-(octan-4-ylamino)propan-2-ol

C11H25NO — CID 103775311

IUPAC1-(octan-4-ylamino)propan-2-ol
SMILESCCCCC(CCC)NCC(C)O
InChIInChI=1S/C11H25NO/c1-4-6-8-11(7-5-2)12-9-10(3)13/h10-13H,4-9H2,1-3H3
InChIKeyGUNKNJWNKSZTQX-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.32
Rot. Bonds8

About 1-(octan-4-ylamino)propan-2-ol

1-(octan-4-ylamino)propan-2-ol (PubChem CID 103775311) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 1-(octan-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(octan-4-ylamino)propan-2-ol
PubChem CID103775311
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name1-(octan-4-ylamino)propan-2-ol
SMILESCCCCC(CCC)NCC(C)O
InChIInChI=1S/C11H25NO/c1-4-6-8-11(7-5-2)12-9-10(3)13/h10-13H,4-9H2,1-3H3
InChIKeyGUNKNJWNKSZTQX-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(nonadecan-10-ylamino)propan-2-ol
CID 98515290
2-(2-hydroxypropylamino)pentan-1-ol
CID 126754645
2-(2-hydroxypropylamino)octan-1-ol
CID 86053994
1-(hept-1-en-4-ylamino)propan-2-ol
CID 4712407
N-pentyloctan-4-amine
CID 106023306
4-(undecan-6-ylamino)butan-2-ol
CID 64927734
hexan-2-ol;pentan-2-ol
CID 88680973
2-(octan-4-ylamino)-N-propan-2-ylacetamide
CID 103776277
N-(2,3-dimethylbutyl)undecan-6-amine
CID 64569450
1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol
CID 106024420
N-ethylhexadecan-4-amine
CID 63413885
2-methyl-4-(octan-4-ylamino)butan-2-ol
CID 104926772

Frequently Asked Questions

What is the IUPAC name of 1-(octan-4-ylamino)propan-2-ol?
The IUPAC name of 1-(octan-4-ylamino)propan-2-ol (CID 103775311) is 1-(octan-4-ylamino)propan-2-ol.
What is the SMILES notation for 1-(octan-4-ylamino)propan-2-ol?
The canonical SMILES for 1-(octan-4-ylamino)propan-2-ol is CCCCC(CCC)NCC(C)O.
What is the InChIKey of 1-(octan-4-ylamino)propan-2-ol?
The InChIKey is GUNKNJWNKSZTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-6-8-11(7-5-2)12-9-10(3)13/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-(octan-4-ylamino)propan-2-ol?
1-(octan-4-ylamino)propan-2-ol has a molecular weight of 187.33 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(octan-4-ylamino)propan-2-ol is sourced from PubChem (CID 103775311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).