N-tert-butyl-4-cyclopentyloxybutan-1-amine

C13H27NO — CID 62443463

IUPACN-tert-butyl-4-cyclopentyloxybutan-1-amine
SMILESCC(C)(C)NCCCCOC1CCCC1
InChIInChI=1S/C13H27NO/c1-13(2,3)14-10-6-7-11-15-12-8-4-5-9-12/h12,14H,4-11H2,1-3H3
InChIKeyWPVUSNDKTARJQZ-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds6

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

N-tert-butyl-4-cyclopentyloxybutan-1-amine (PubChem CID 62443463) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-tert-butyl-4-cyclopentyloxybutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-cyclopentyloxybutan-1-amine
PubChem CID62443463
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-tert-butyl-4-cyclopentyloxybutan-1-amine
SMILESCC(C)(C)NCCCCOC1CCCC1
InChIInChI=1S/C13H27NO/c1-13(2,3)14-10-6-7-11-15-12-8-4-5-9-12/h12,14H,4-11H2,1-3H3
InChIKeyWPVUSNDKTARJQZ-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.11
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-cyclopentyloxybutan-1-amine?
The IUPAC name of N-tert-butyl-4-cyclopentyloxybutan-1-amine (CID 62443463) is N-tert-butyl-4-cyclopentyloxybutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-cyclopentyloxybutan-1-amine?
The canonical SMILES for N-tert-butyl-4-cyclopentyloxybutan-1-amine is CC(C)(C)NCCCCOC1CCCC1.
What is the InChIKey of N-tert-butyl-4-cyclopentyloxybutan-1-amine?
The InChIKey is WPVUSNDKTARJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-13(2,3)14-10-6-7-11-15-12-8-4-5-9-12/h12,14H,4-11H2,1-3H3.
What are the key properties of N-tert-butyl-4-cyclopentyloxybutan-1-amine?
N-tert-butyl-4-cyclopentyloxybutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-cyclopentyloxybutan-1-amine is sourced from PubChem (CID 62443463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).