(2S)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine

C11H25NO — CID 29013896

IUPAC(2S)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine
SMILESCC[C@@H](C)N[C@@H](C)CC(C)(C)OC
InChIInChI=1S/C11H25NO/c1-7-9(2)12-10(3)8-11(4,5)13-6/h9-10,12H,7-8H2,1-6H3/t9-,10+/m1/s1
InChIKeyQCLUFTPBEGLMEV-ZJUUUORDSA-N
MW187.33 g/mol
LogP2.58
Rot. Bonds6

About (2S)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine

(2S)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine (PubChem CID 29013896) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is (2S)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine
PubChem CID29013896
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name(2S)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine
SMILESCC[C@@H](C)N[C@@H](C)CC(C)(C)OC
InChIInChI=1S/C11H25NO/c1-7-9(2)12-10(3)8-11(4,5)13-6/h9-10,12H,7-8H2,1-6H3/t9-,10+/m1/s1
InChIKeyQCLUFTPBEGLMEV-ZJUUUORDSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine with MolForge

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Related Compounds

4-Methoxy-4-methylpentan-2-amine
CID 22273175
4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
CID 43146950
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine
CID 66204142
1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
CID 66205173
N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine
CID 80604812
1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
CID 80605536
4-methoxy-4-methyl-N-(4,4,4-trifluorobutyl)pentan-2-amine
CID 81343377
4-methoxy-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine
CID 103529315
N-(4-methoxy-4-methylpentan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210358
1,1,1-trifluoro-4-methoxy-N,4-dimethylpentan-2-amine
CID 106676423
N-ethyl-1,1,1-trifluoro-4-methoxy-4-methylpentan-2-amine
CID 106676424

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of (2S)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine (CID 29013896) is (2S)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for (2S)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for (2S)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine is CC[C@@H](C)N[C@@H](C)CC(C)(C)OC.
What is the InChIKey of (2S)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine?
The InChIKey is QCLUFTPBEGLMEV-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H25NO/c1-7-9(2)12-10(3)8-11(4,5)13-6/h9-10,12H,7-8H2,1-6H3/t9-,10+/m1/s1.
What are the key properties of (2S)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine?
(2S)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 29013896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).