N-tert-butyl-4-methoxy-4-methylpentan-1-amine

C11H25NO — CID 103035665

IUPACN-tert-butyl-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCCNC(C)(C)C
InChIInChI=1S/C11H25NO/c1-10(2,3)12-9-7-8-11(4,5)13-6/h12H,7-9H2,1-6H3
InChIKeyYXPPXWQZKDLIGY-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.58
Rot. Bonds5

About N-tert-butyl-4-methoxy-4-methylpentan-1-amine

N-tert-butyl-4-methoxy-4-methylpentan-1-amine (PubChem CID 103035665) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-tert-butyl-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methoxy-4-methylpentan-1-amine
PubChem CID103035665
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-tert-butyl-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCCNC(C)(C)C
InChIInChI=1S/C11H25NO/c1-10(2,3)12-9-7-8-11(4,5)13-6/h12H,7-9H2,1-6H3
InChIKeyYXPPXWQZKDLIGY-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of N-tert-butyl-4-methoxy-4-methylpentan-1-amine (CID 103035665) is N-tert-butyl-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for N-tert-butyl-4-methoxy-4-methylpentan-1-amine is COC(C)(C)CCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-methoxy-4-methylpentan-1-amine?
The InChIKey is YXPPXWQZKDLIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-10(2,3)12-9-7-8-11(4,5)13-6/h12H,7-9H2,1-6H3.
What are the key properties of N-tert-butyl-4-methoxy-4-methylpentan-1-amine?
N-tert-butyl-4-methoxy-4-methylpentan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103035665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).