N-tert-butyl-4-ethoxybutan-1-amine

C10H23NO — CID 62443710

IUPACN-tert-butyl-4-ethoxybutan-1-amine
SMILESCCOCCCCNC(C)(C)C
InChIInChI=1S/C10H23NO/c1-5-12-9-7-6-8-11-10(2,3)4/h11H,5-9H2,1-4H3
InChIKeyXFMBPKMSIJUSIQ-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.19
Rot. Bonds6

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

N-tert-butyl-4-ethoxybutan-1-amine (PubChem CID 62443710) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N-tert-butyl-4-ethoxybutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-ethoxybutan-1-amine
PubChem CID62443710
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN-tert-butyl-4-ethoxybutan-1-amine
SMILESCCOCCCCNC(C)(C)C
InChIInChI=1S/C10H23NO/c1-5-12-9-7-6-8-11-10(2,3)4/h11H,5-9H2,1-4H3
InChIKeyXFMBPKMSIJUSIQ-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-ethoxybutan-1-amine?
The IUPAC name of N-tert-butyl-4-ethoxybutan-1-amine (CID 62443710) is N-tert-butyl-4-ethoxybutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-ethoxybutan-1-amine?
The canonical SMILES for N-tert-butyl-4-ethoxybutan-1-amine is CCOCCCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-ethoxybutan-1-amine?
The InChIKey is XFMBPKMSIJUSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-12-9-7-6-8-11-10(2,3)4/h11H,5-9H2,1-4H3.
What are the key properties of N-tert-butyl-4-ethoxybutan-1-amine?
N-tert-butyl-4-ethoxybutan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.19, 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-ethoxybutan-1-amine is sourced from PubChem (CID 62443710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).