1-(3-methoxybutan-2-ylamino)-2-methylpropan-2-ol

C9H21NO2 — CID 115718655

IUPAC1-(3-methoxybutan-2-ylamino)-2-methylpropan-2-ol
SMILESCOC(C)C(C)NCC(C)(C)O
InChIInChI=1S/C9H21NO2/c1-7(8(2)12-5)10-6-9(3,4)11/h7-8,10-11H,6H2,1-5H3
InChIKeyKLJZSZFZAYUVRI-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.77
Rot. Bonds5

About 1-(3-methoxybutan-2-ylamino)-2-methylpropan-2-ol

1-(3-methoxybutan-2-ylamino)-2-methylpropan-2-ol (PubChem CID 115718655) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-(3-methoxybutan-2-ylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3-methoxybutan-2-ylamino)-2-methylpropan-2-ol
PubChem CID115718655
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name1-(3-methoxybutan-2-ylamino)-2-methylpropan-2-ol
SMILESCOC(C)C(C)NCC(C)(C)O
InChIInChI=1S/C9H21NO2/c1-7(8(2)12-5)10-6-9(3,4)11/h7-8,10-11H,6H2,1-5H3
InChIKeyKLJZSZFZAYUVRI-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methoxybutan-2-ylamino)methyl]heptan-4-ol
CID 115722247
N-ethyl-3-(3-methoxybutan-2-ylamino)-2,2-dimethylpropanamide
CID 115922435
1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-ol
CID 65103997
(2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine
CID 166556352
tert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate
CID 66337597
1-[(3-methoxybutan-2-ylamino)methyl]cyclobutan-1-ol
CID 115718567
N-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904336
N-(3-methoxybutan-2-yl)-3-methylpentan-3-amine
CID 115920365
1-(3-methoxybutan-2-ylamino)-4-methylpentan-3-ol
CID 115723500
2-(3-methoxybutan-2-ylamino)-N-methylacetamide
CID 115706830
2-methyl-1-(pentan-2-ylamino)propan-2-ol
CID 60885275
(2S)-2-[(2-hydroxy-2-methylpropyl)amino]-3-methylbutan-1-ol
CID 79249473

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybutan-2-ylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(3-methoxybutan-2-ylamino)-2-methylpropan-2-ol (CID 115718655) is 1-(3-methoxybutan-2-ylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3-methoxybutan-2-ylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3-methoxybutan-2-ylamino)-2-methylpropan-2-ol is COC(C)C(C)NCC(C)(C)O.
What is the InChIKey of 1-(3-methoxybutan-2-ylamino)-2-methylpropan-2-ol?
The InChIKey is KLJZSZFZAYUVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-7(8(2)12-5)10-6-9(3,4)11/h7-8,10-11H,6H2,1-5H3.
What are the key properties of 1-(3-methoxybutan-2-ylamino)-2-methylpropan-2-ol?
1-(3-methoxybutan-2-ylamino)-2-methylpropan-2-ol has a molecular weight of 175.27 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybutan-2-ylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 115718655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).