1-(3-butoxypropylamino)-2,3-dimethylbutan-2-ol

C13H29NO2 — CID 114447493

IUPAC1-(3-butoxypropylamino)-2,3-dimethylbutan-2-ol
SMILESCCCCOCCCNCC(C)(O)C(C)C
InChIInChI=1S/C13H29NO2/c1-5-6-9-16-10-7-8-14-11-13(4,15)12(2)3/h12,14-15H,5-11H2,1-4H3
InChIKeyNRIATKSZJQEWMB-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.19
Rot. Bonds10

About 1-(3-butoxypropylamino)-2,3-dimethylbutan-2-ol

1-(3-butoxypropylamino)-2,3-dimethylbutan-2-ol (PubChem CID 114447493) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(3-butoxypropylamino)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(3-butoxypropylamino)-2,3-dimethylbutan-2-ol
PubChem CID114447493
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name1-(3-butoxypropylamino)-2,3-dimethylbutan-2-ol
SMILESCCCCOCCCNCC(C)(O)C(C)C
InChIInChI=1S/C13H29NO2/c1-5-6-9-16-10-7-8-14-11-13(4,15)12(2)3/h12,14-15H,5-11H2,1-4H3
InChIKeyNRIATKSZJQEWMB-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-butoxyethylamino)methyl]pentan-3-ol
CID 65111219
2,3-dimethyl-1-(pent-4-ynylamino)butan-2-ol
CID 106221057
3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol
CID 104562724
1-(hex-5-ynylamino)-2,3-dimethylbutan-2-ol
CID 106211303
3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine
CID 89283788
2,3-dimethyl-1-(2-phenoxyethylamino)butan-2-ol
CID 114447528
2-methyl-1-octoxy-3-(propylamino)propan-2-ol
CID 66335798
1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol
CID 104985809
methyl 2,2-dimethyl-3-(3-propoxypropylamino)propanoate
CID 82944131
1-butoxybutane;2-methylpentane-2,4-diol
CID 19966802
3-[[3-(2-hydroxyethoxy)propylamino]methyl]pentan-3-ol
CID 106309987
3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine
CID 82223866

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxypropylamino)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(3-butoxypropylamino)-2,3-dimethylbutan-2-ol (CID 114447493) is 1-(3-butoxypropylamino)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(3-butoxypropylamino)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(3-butoxypropylamino)-2,3-dimethylbutan-2-ol is CCCCOCCCNCC(C)(O)C(C)C.
What is the InChIKey of 1-(3-butoxypropylamino)-2,3-dimethylbutan-2-ol?
The InChIKey is NRIATKSZJQEWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-5-6-9-16-10-7-8-14-11-13(4,15)12(2)3/h12,14-15H,5-11H2,1-4H3.
What are the key properties of 1-(3-butoxypropylamino)-2,3-dimethylbutan-2-ol?
1-(3-butoxypropylamino)-2,3-dimethylbutan-2-ol has a molecular weight of 231.38 g/mol, XLogP of 2.19, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypropylamino)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114447493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).