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

C13H29NO — CID 29014648

IUPAC(2R)-N-hexyl-4-methoxy-4-methylpentan-2-amine
SMILESCCCCCCN[C@H](C)CC(C)(C)OC
InChIInChI=1S/C13H29NO/c1-6-7-8-9-10-14-12(2)11-13(3,4)15-5/h12,14H,6-11H2,1-5H3/t12-/m1/s1
InChIKeyPPGJKYFNSRHUSU-GFCCVEGCSA-N
MW215.38 g/mol
LogP3.36
Rot. Bonds9

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

(2R)-N-hexyl-4-methoxy-4-methylpentan-2-amine (PubChem CID 29014648) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is (2R)-N-hexyl-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2R)-N-hexyl-4-methoxy-4-methylpentan-2-amine
PubChem CID29014648
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name(2R)-N-hexyl-4-methoxy-4-methylpentan-2-amine
SMILESCCCCCCN[C@H](C)CC(C)(C)OC
InChIInChI=1S/C13H29NO/c1-6-7-8-9-10-14-12(2)11-13(3,4)15-5/h12,14H,6-11H2,1-5H3/t12-/m1/s1
InChIKeyPPGJKYFNSRHUSU-GFCCVEGCSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.36
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)-N-hexyl-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of (2R)-N-hexyl-4-methoxy-4-methylpentan-2-amine (CID 29014648) is (2R)-N-hexyl-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for (2R)-N-hexyl-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for (2R)-N-hexyl-4-methoxy-4-methylpentan-2-amine is CCCCCCN[C@H](C)CC(C)(C)OC.
What is the InChIKey of (2R)-N-hexyl-4-methoxy-4-methylpentan-2-amine?
The InChIKey is PPGJKYFNSRHUSU-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H29NO/c1-6-7-8-9-10-14-12(2)11-13(3,4)15-5/h12,14H,6-11H2,1-5H3/t12-/m1/s1.
What are the key properties of (2R)-N-hexyl-4-methoxy-4-methylpentan-2-amine?
(2R)-N-hexyl-4-methoxy-4-methylpentan-2-amine has a molecular weight of 215.38 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hexyl-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 29014648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).