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

C12H27NO2 — CID 115895065

IUPAC2-(3-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
SMILESCOC(C)C(C)NC(CO)CC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-9(10(2)15-6)13-11(8-14)7-12(3,4)5/h9-11,13-14H,7-8H2,1-6H3
InChIKeyKGYXKBGOJPEQSP-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.80
Rot. Bonds6

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

2-(3-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol (PubChem CID 115895065) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2-(3-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name2-(3-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
PubChem CID115895065
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2-(3-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
SMILESCOC(C)C(C)NC(CO)CC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-9(10(2)15-6)13-11(8-14)7-12(3,4)5/h9-11,13-14H,7-8H2,1-6H3
InChIKeyKGYXKBGOJPEQSP-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 115895048
2-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol
CID 115895052
4,4-dimethyl-2-(5-methylhexan-2-ylamino)pentan-1-ol
CID 115895057
2-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 115895063
2-(1-cyclopentylethylamino)-4,4-dimethylpentan-1-ol
CID 115895050
2-(hexan-3-ylamino)-4,4-dimethylpentan-1-ol
CID 115906532
(2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol
CID 29014802
tert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
CID 103782950
2-[[(2S,3R)-3-methylpentan-2-yl]amino]propane-1,3-diol
CID 96980583
N-butan-2-yl-3-methoxybutan-2-amine
CID 115705720
1-(3-methoxybutan-2-ylamino)-2-methylpropan-2-ol
CID 115718655
tert-butyl (2R)-2-(3-methoxybutan-2-ylamino)propanoate
CID 103903785

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 2-(3-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol (CID 115895065) is 2-(3-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 2-(3-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 2-(3-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol is COC(C)C(C)NC(CO)CC(C)(C)C.
What is the InChIKey of 2-(3-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is KGYXKBGOJPEQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-9(10(2)15-6)13-11(8-14)7-12(3,4)5/h9-11,13-14H,7-8H2,1-6H3.
What are the key properties of 2-(3-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol?
2-(3-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 217.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 115895065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).