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

C12H27NO2 — CID 115895048

IUPAC2-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
SMILESCOCCC(C)NC(CO)CC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-10(6-7-15-5)13-11(9-14)8-12(2,3)4/h10-11,13-14H,6-9H2,1-5H3
InChIKeyWSTBBATWWLZTQN-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.80
Rot. Bonds7

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

2-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol (PubChem CID 115895048) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name2-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
PubChem CID115895048
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
SMILESCOCCC(C)NC(CO)CC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-10(6-7-15-5)13-11(9-14)8-12(2,3)4/h10-11,13-14H,6-9H2,1-5H3
InChIKeyWSTBBATWWLZTQN-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

Analyze 2-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(3-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 115895065
4,4,4-trifluoro-N-(4-methoxybutan-2-yl)butan-2-amine
CID 103780265
(2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol
CID 29014802
2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol
CID 115595179
2-(hexan-3-ylamino)-4,4-dimethylpentan-1-ol
CID 115906532
2-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol
CID 115895052
tert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
CID 103782952
2-(hydroxymethyl)-2-(4-methoxybutan-2-ylamino)propane-1,3-diol
CID 107850471
N-(4-methoxybutan-2-yl)octan-4-amine
CID 103748088
2-[4-(furan-2-yl)butan-2-ylamino]-4-methoxybutan-1-ol
CID 114210422

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 2-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol (CID 115895048) is 2-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 2-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 2-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol is COCCC(C)NC(CO)CC(C)(C)C.
What is the InChIKey of 2-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is WSTBBATWWLZTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-10(6-7-15-5)13-11(9-14)8-12(2,3)4/h10-11,13-14H,6-9H2,1-5H3.
What are the key properties of 2-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol?
2-(4-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 2-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 115895048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).