1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol

C13H29NO2 — CID 107262665

IUPAC1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol
SMILESCCCCOCC(O)CNC(CC)C(C)C
InChIInChI=1S/C13H29NO2/c1-5-7-8-16-10-12(15)9-14-13(6-2)11(3)4/h11-15H,5-10H2,1-4H3
InChIKeyUMLCTPQMLDUMCJ-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.19
Rot. Bonds10

About 1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol

1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol (PubChem CID 107262665) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol
PubChem CID107262665
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol
SMILESCCCCOCC(O)CNC(CC)C(C)C
InChIInChI=1S/C13H29NO2/c1-5-7-8-16-10-12(15)9-14-13(6-2)11(3)4/h11-15H,5-10H2,1-4H3
InChIKeyUMLCTPQMLDUMCJ-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

1-butoxy-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 107262659
2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103913986
1-(2-butoxyethoxy)-3-(3-ethylpentan-2-ylamino)propan-2-ol
CID 63838472
1-(1-hydroxyethylamino)-3-octadecoxypropan-2-ol
CID 137434475
(2R)-1-butoxybutan-2-ol
CID 27255938
N-(3-butoxypropyl)-2-methylpentan-3-amine
CID 115704440
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092
2-[(2-hydroxy-3-octoxypropyl)amino]propanamide
CID 54938860
1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol
CID 107262975
1-(4-methylpentan-2-ylamino)-3-octoxypropan-2-ol
CID 60899891
2-[(3-butoxy-2-hydroxypropyl)amino]-2,3-dimethylbutanamide
CID 112738116
2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-ol
CID 79250118

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol?
The IUPAC name of 1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol (CID 107262665) is 1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol?
The canonical SMILES for 1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol is CCCCOCC(O)CNC(CC)C(C)C.
What is the InChIKey of 1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol?
The InChIKey is UMLCTPQMLDUMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-5-7-8-16-10-12(15)9-14-13(6-2)11(3)4/h11-15H,5-10H2,1-4H3.
What are the key properties of 1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol?
1-butoxy-3-(2-methylpentan-3-ylamino)propan-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-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol is sourced from PubChem (CID 107262665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).