3-(1-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol

C12H27NO2 — CID 104925958

IUPAC3-(1-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
SMILESCCC(COC)NC(CCO)C(C)(C)C
InChIInChI=1S/C12H27NO2/c1-6-10(9-15-5)13-11(7-8-14)12(2,3)4/h10-11,13-14H,6-9H2,1-5H3
InChIKeySTYRFPLZCKHUHY-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.80
Rot. Bonds7

About 3-(1-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol

3-(1-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol (PubChem CID 104925958) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 3-(1-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-(1-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
PubChem CID104925958
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name3-(1-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
SMILESCCC(COC)NC(CCO)C(C)(C)C
InChIInChI=1S/C12H27NO2/c1-6-10(9-15-5)13-11(7-8-14)12(2,3)4/h10-11,13-14H,6-9H2,1-5H3
InChIKeySTYRFPLZCKHUHY-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

3-[(5-amino-1-methoxypentan-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106349081
3-(heptan-3-ylamino)-4-methoxybutan-1-ol
CID 115722634
N-(1-methoxybutan-2-yl)hydroxylamine
CID 54458429
3-(hept-6-en-3-ylamino)-4-methoxybutan-1-ol
CID 115722621
3-(2-ethylbutylamino)-4-methoxybutan-1-ol
CID 115756936
3-(1-methoxybutan-2-ylamino)-3-thiophen-2-ylpropan-1-ol
CID 115723176
2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutanamide
CID 106161090
N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide
CID 106156919
4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol
CID 104627986
2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbutanamide
CID 106160983
3-[1-(4-ethylphenyl)propylamino]-4,4-dimethylpentan-1-ol
CID 106348919
tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate
CID 53259998

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-(1-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol (CID 104925958) is 3-(1-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-(1-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-(1-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol is CCC(COC)NC(CCO)C(C)(C)C.
What is the InChIKey of 3-(1-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is STYRFPLZCKHUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-6-10(9-15-5)13-11(7-8-14)12(2,3)4/h10-11,13-14H,6-9H2,1-5H3.
What are the key properties of 3-(1-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol?
3-(1-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 217.35 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 104925958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).