3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol

C10H23NO2 — CID 115724585

IUPAC3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol
SMILESCOCC(C)NC(CCO)C(C)C
InChIInChI=1S/C10H23NO2/c1-8(2)10(5-6-12)11-9(3)7-13-4/h8-12H,5-7H2,1-4H3
InChIKeyGJWQHZYHZTYNAO-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.02
Rot. Bonds7

About 3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol

3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol (PubChem CID 115724585) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol
PubChem CID115724585
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol
SMILESCOCC(C)NC(CCO)C(C)C
InChIInChI=1S/C10H23NO2/c1-8(2)10(5-6-12)11-9(3)7-13-4/h8-12H,5-7H2,1-4H3
InChIKeyGJWQHZYHZTYNAO-UHFFFAOYSA-N
XLogP1.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-N-(1-methoxypropan-2-yl)-4-methylpentan-3-amine
CID 115694532
3-(1-aminopropan-2-ylamino)-4-methylpentan-1-ol
CID 106348789
(4S)-4-[[(2R)-1-methoxypropan-2-yl]amino]pentan-1-ol
CID 97051570
3-(2-methoxyethylamino)-4-methylpentan-1-ol
CID 104696168
(2S)-2-(1-methoxypropan-2-ylamino)propan-1-ol
CID 103789156
3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol
CID 106353414
3-(1-cyclobutylpropan-2-ylamino)-4-methylpentan-1-ol
CID 115724552
(3S)-4-methoxy-3-methylbutan-1-ol
CID 87593216
2-(4-hydroxybutan-2-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 83177784
N-(1-methoxypropan-2-yl)pentan-2-amine
CID 43191929
4-methoxy-3-(4-methylpentan-2-ylamino)butan-1-ol
CID 115722598
1-methoxy-3-methyl-N-(1-methylsulfanylpropan-2-yl)butan-2-amine
CID 115721836

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol?
The IUPAC name of 3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol (CID 115724585) is 3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol.
What is the SMILES notation for 3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol?
The canonical SMILES for 3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol is COCC(C)NC(CCO)C(C)C.
What is the InChIKey of 3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol?
The InChIKey is GJWQHZYHZTYNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-8(2)10(5-6-12)11-9(3)7-13-4/h8-12H,5-7H2,1-4H3.
What are the key properties of 3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol?
3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol has a molecular weight of 189.30 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 115724585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).