(2R)-4-methoxy-4-methyl-N-pentylpentan-2-amine

C12H27NO — CID 29013952

IUPAC(2R)-4-methoxy-4-methyl-N-pentylpentan-2-amine
SMILESCCCCCN[C@H](C)CC(C)(C)OC
InChIInChI=1S/C12H27NO/c1-6-7-8-9-13-11(2)10-12(3,4)14-5/h11,13H,6-10H2,1-5H3/t11-/m1/s1
InChIKeyVDTPSPHLIAWMPM-LLVKDONJSA-N
MW201.35 g/mol
LogP2.97
Rot. Bonds8

About (2R)-4-methoxy-4-methyl-N-pentylpentan-2-amine

(2R)-4-methoxy-4-methyl-N-pentylpentan-2-amine (PubChem CID 29013952) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is (2R)-4-methoxy-4-methyl-N-pentylpentan-2-amine.

Molecular Properties

Compound Name(2R)-4-methoxy-4-methyl-N-pentylpentan-2-amine
PubChem CID29013952
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name(2R)-4-methoxy-4-methyl-N-pentylpentan-2-amine
SMILESCCCCCN[C@H](C)CC(C)(C)OC
InChIInChI=1S/C12H27NO/c1-6-7-8-9-13-11(2)10-12(3,4)14-5/h11,13H,6-10H2,1-5H3/t11-/m1/s1
InChIKeyVDTPSPHLIAWMPM-LLVKDONJSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methoxy-4-methyl-N-pentylpentan-2-amine?
The IUPAC name of (2R)-4-methoxy-4-methyl-N-pentylpentan-2-amine (CID 29013952) is (2R)-4-methoxy-4-methyl-N-pentylpentan-2-amine.
What is the SMILES notation for (2R)-4-methoxy-4-methyl-N-pentylpentan-2-amine?
The canonical SMILES for (2R)-4-methoxy-4-methyl-N-pentylpentan-2-amine is CCCCCN[C@H](C)CC(C)(C)OC.
What is the InChIKey of (2R)-4-methoxy-4-methyl-N-pentylpentan-2-amine?
The InChIKey is VDTPSPHLIAWMPM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-7-8-9-13-11(2)10-12(3,4)14-5/h11,13H,6-10H2,1-5H3/t11-/m1/s1.
What are the key properties of (2R)-4-methoxy-4-methyl-N-pentylpentan-2-amine?
(2R)-4-methoxy-4-methyl-N-pentylpentan-2-amine has a molecular weight of 201.35 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methoxy-4-methyl-N-pentylpentan-2-amine is sourced from PubChem (CID 29013952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).