(2R)-N-butyl-4-methoxy-4-methylpentan-2-amine

C11H25NO — CID 29014052

IUPAC(2R)-N-butyl-4-methoxy-4-methylpentan-2-amine
SMILESCCCCN[C@H](C)CC(C)(C)OC
InChIInChI=1S/C11H25NO/c1-6-7-8-12-10(2)9-11(3,4)13-5/h10,12H,6-9H2,1-5H3/t10-/m1/s1
InChIKeyVROTWFDDHSKUPX-SNVBAGLBSA-N
MW187.33 g/mol
LogP2.58
Rot. Bonds7

About (2R)-N-butyl-4-methoxy-4-methylpentan-2-amine

(2R)-N-butyl-4-methoxy-4-methylpentan-2-amine (PubChem CID 29014052) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is (2R)-N-butyl-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2R)-N-butyl-4-methoxy-4-methylpentan-2-amine
PubChem CID29014052
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name(2R)-N-butyl-4-methoxy-4-methylpentan-2-amine
SMILESCCCCN[C@H](C)CC(C)(C)OC
InChIInChI=1S/C11H25NO/c1-6-7-8-12-10(2)9-11(3,4)13-5/h10,12H,6-9H2,1-5H3/t10-/m1/s1
InChIKeyVROTWFDDHSKUPX-SNVBAGLBSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-N-butyl-4-methoxy-4-methylpentan-2-amine 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-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 (2R)-N-butyl-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of (2R)-N-butyl-4-methoxy-4-methylpentan-2-amine (CID 29014052) is (2R)-N-butyl-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for (2R)-N-butyl-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for (2R)-N-butyl-4-methoxy-4-methylpentan-2-amine is CCCCN[C@H](C)CC(C)(C)OC.
What is the InChIKey of (2R)-N-butyl-4-methoxy-4-methylpentan-2-amine?
The InChIKey is VROTWFDDHSKUPX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-7-8-12-10(2)9-11(3,4)13-5/h10,12H,6-9H2,1-5H3/t10-/m1/s1.
What are the key properties of (2R)-N-butyl-4-methoxy-4-methylpentan-2-amine?
(2R)-N-butyl-4-methoxy-4-methylpentan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-butyl-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 29014052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).