N-tert-butyl-5-(4-methylpentoxy)pentan-1-amine

C15H33NO — CID 55077466

IUPACN-tert-butyl-5-(4-methylpentoxy)pentan-1-amine
SMILESCC(C)CCCOCCCCCNC(C)(C)C
InChIInChI=1S/C15H33NO/c1-14(2)10-9-13-17-12-8-6-7-11-16-15(3,4)5/h14,16H,6-13H2,1-5H3
InChIKeyBNYYAUUQBJEBNU-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.00
Rot. Bonds10

About N-tert-butyl-5-(4-methylpentoxy)pentan-1-amine

N-tert-butyl-5-(4-methylpentoxy)pentan-1-amine (PubChem CID 55077466) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is N-tert-butyl-5-(4-methylpentoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(4-methylpentoxy)pentan-1-amine
PubChem CID55077466
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC NameN-tert-butyl-5-(4-methylpentoxy)pentan-1-amine
SMILESCC(C)CCCOCCCCCNC(C)(C)C
InChIInChI=1S/C15H33NO/c1-14(2)10-9-13-17-12-8-6-7-11-16-15(3,4)5/h14,16H,6-13H2,1-5H3
InChIKeyBNYYAUUQBJEBNU-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.00
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-5-(4-methylpentoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-5-(4-methylpentoxy)pentan-1-amine (CID 55077466) is N-tert-butyl-5-(4-methylpentoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-(4-methylpentoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-5-(4-methylpentoxy)pentan-1-amine is CC(C)CCCOCCCCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-5-(4-methylpentoxy)pentan-1-amine?
The InChIKey is BNYYAUUQBJEBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-14(2)10-9-13-17-12-8-6-7-11-16-15(3,4)5/h14,16H,6-13H2,1-5H3.
What are the key properties of N-tert-butyl-5-(4-methylpentoxy)pentan-1-amine?
N-tert-butyl-5-(4-methylpentoxy)pentan-1-amine has a molecular weight of 243.43 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(4-methylpentoxy)pentan-1-amine is sourced from PubChem (CID 55077466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).