N-tert-butyl-4-methoxypentan-1-amine

C10H23NO — CID 62444088

IUPACN-tert-butyl-4-methoxypentan-1-amine
SMILESCOC(C)CCCNC(C)(C)C
InChIInChI=1S/C10H23NO/c1-9(12-5)7-6-8-11-10(2,3)4/h9,11H,6-8H2,1-5H3
InChIKeyPMUHLOUWSRRNSJ-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.19
Rot. Bonds5

About N-tert-butyl-4-methoxypentan-1-amine

N-tert-butyl-4-methoxypentan-1-amine (PubChem CID 62444088) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N-tert-butyl-4-methoxypentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methoxypentan-1-amine
PubChem CID62444088
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN-tert-butyl-4-methoxypentan-1-amine
SMILESCOC(C)CCCNC(C)(C)C
InChIInChI=1S/C10H23NO/c1-9(12-5)7-6-8-11-10(2,3)4/h9,11H,6-8H2,1-5H3
InChIKeyPMUHLOUWSRRNSJ-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.19
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-methoxypentan-1-amine?
The IUPAC name of N-tert-butyl-4-methoxypentan-1-amine (CID 62444088) is N-tert-butyl-4-methoxypentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-methoxypentan-1-amine?
The canonical SMILES for N-tert-butyl-4-methoxypentan-1-amine is COC(C)CCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-methoxypentan-1-amine?
The InChIKey is PMUHLOUWSRRNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-9(12-5)7-6-8-11-10(2,3)4/h9,11H,6-8H2,1-5H3.
What are the key properties of N-tert-butyl-4-methoxypentan-1-amine?
N-tert-butyl-4-methoxypentan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.19, 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-methoxypentan-1-amine is sourced from PubChem (CID 62444088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).