4-(1-methoxyhexan-2-ylamino)-3-methylbutan-1-ol

C12H27NO2 — CID 115725096

IUPAC4-(1-methoxyhexan-2-ylamino)-3-methylbutan-1-ol
SMILESCCCCC(COC)NCC(C)CCO
InChIInChI=1S/C12H27NO2/c1-4-5-6-12(10-15-3)13-9-11(2)7-8-14/h11-14H,4-10H2,1-3H3
InChIKeyVULUVHDLJSGAJX-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.80
Rot. Bonds10

About 4-(1-methoxyhexan-2-ylamino)-3-methylbutan-1-ol

4-(1-methoxyhexan-2-ylamino)-3-methylbutan-1-ol (PubChem CID 115725096) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 4-(1-methoxyhexan-2-ylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-(1-methoxyhexan-2-ylamino)-3-methylbutan-1-ol
PubChem CID115725096
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name4-(1-methoxyhexan-2-ylamino)-3-methylbutan-1-ol
SMILESCCCCC(COC)NCC(C)CCO
InChIInChI=1S/C12H27NO2/c1-4-5-6-12(10-15-3)13-9-11(2)7-8-14/h11-14H,4-10H2,1-3H3
InChIKeyVULUVHDLJSGAJX-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol
CID 115707263
3-(heptan-3-ylamino)-4-methoxybutan-1-ol
CID 115722634
methyl 2-[(4-hydroxy-2-methylbutyl)amino]hexanoate
CID 103256143
3-(2-ethylbutylamino)-4-methoxybutan-1-ol
CID 115756936
butyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate
CID 106159517
3-(1-methoxyhexan-2-ylamino)-4-methylsulfanylbutan-1-ol
CID 115723206
1-methoxy-N-(4-methoxybutyl)hexan-2-amine
CID 115709746
(2S)-1-methoxy-N-methylhexan-2-amine
CID 177242292
4-(2-butoxyethylamino)-3-methylbutan-1-ol
CID 66108115
N-ethyl-1-methoxydecan-2-amine
CID 62320563
3-(1-methoxypentan-2-ylamino)propane-1,2-diol
CID 77035883
2-(1-methoxyhexan-2-ylamino)-3-methylpentan-1-ol
CID 115891633

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxyhexan-2-ylamino)-3-methylbutan-1-ol?
The IUPAC name of 4-(1-methoxyhexan-2-ylamino)-3-methylbutan-1-ol (CID 115725096) is 4-(1-methoxyhexan-2-ylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 4-(1-methoxyhexan-2-ylamino)-3-methylbutan-1-ol?
The canonical SMILES for 4-(1-methoxyhexan-2-ylamino)-3-methylbutan-1-ol is CCCCC(COC)NCC(C)CCO.
What is the InChIKey of 4-(1-methoxyhexan-2-ylamino)-3-methylbutan-1-ol?
The InChIKey is VULUVHDLJSGAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-4-5-6-12(10-15-3)13-9-11(2)7-8-14/h11-14H,4-10H2,1-3H3.
What are the key properties of 4-(1-methoxyhexan-2-ylamino)-3-methylbutan-1-ol?
4-(1-methoxyhexan-2-ylamino)-3-methylbutan-1-ol has a molecular weight of 217.35 g/mol, XLogP of 1.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyhexan-2-ylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 115725096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).