2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol

C12H27NO2 — CID 103033211

IUPAC2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol
SMILESCOC(C)(C)CCNC(CO)CC(C)C
InChIInChI=1S/C12H27NO2/c1-10(2)8-11(9-14)13-7-6-12(3,4)15-5/h10-11,13-14H,6-9H2,1-5H3
InChIKeyPJJKQJLSENYWBU-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.80
Rot. Bonds8

About 2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol

2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol (PubChem CID 103033211) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol
PubChem CID103033211
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol
SMILESCOC(C)(C)CCNC(CO)CC(C)C
InChIInChI=1S/C12H27NO2/c1-10(2)8-11(9-14)13-7-6-12(3,4)15-5/h10-11,13-14H,6-9H2,1-5H3
InChIKeyPJJKQJLSENYWBU-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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-[(3-methoxy-3-methylbutyl)amino]propan-1-ol
CID 103019922
methyl 2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentanoate
CID 103033254
3-methoxy-3-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine
CID 103033623
methyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate
CID 103033239
N-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
CID 106675441
2-(butylamino)-4-methylpentan-1-ol
CID 61246841
4-methyl-2-[2-(2-methylpropoxy)ethylamino]pentan-1-ol
CID 106451757
2-(2-ethoxyethylamino)-4-methylpentan-1-ol
CID 61246725
N,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol
CID 176553145
2-(tert-butylamino)-4-methylpentan-1-ol
CID 20608688
4-methyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045848
2-N-(3-methoxy-3-methylbutyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103019955

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol?
The IUPAC name of 2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol (CID 103033211) is 2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol is COC(C)(C)CCNC(CO)CC(C)C.
What is the InChIKey of 2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol?
The InChIKey is PJJKQJLSENYWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-10(2)8-11(9-14)13-7-6-12(3,4)15-5/h10-11,13-14H,6-9H2,1-5H3.
What are the key properties of 2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol?
2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol has a molecular weight of 217.35 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 103033211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).