N-tert-butyl-4-[2-(dimethylamino)ethoxy]pentan-1-amine

C13H30N2O — CID 62458236

IUPACN-tert-butyl-4-[2-(dimethylamino)ethoxy]pentan-1-amine
SMILESCC(CCCNC(C)(C)C)OCCN(C)C
InChIInChI=1S/C13H30N2O/c1-12(16-11-10-15(5)6)8-7-9-14-13(2,3)4/h12,14H,7-11H2,1-6H3
InChIKeyAHQZWUZRQBLJDP-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds8

About N-tert-butyl-4-[2-(dimethylamino)ethoxy]pentan-1-amine

N-tert-butyl-4-[2-(dimethylamino)ethoxy]pentan-1-amine (PubChem CID 62458236) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N-tert-butyl-4-[2-(dimethylamino)ethoxy]pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[2-(dimethylamino)ethoxy]pentan-1-amine
PubChem CID62458236
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN-tert-butyl-4-[2-(dimethylamino)ethoxy]pentan-1-amine
SMILESCC(CCCNC(C)(C)C)OCCN(C)C
InChIInChI=1S/C13H30N2O/c1-12(16-11-10-15(5)6)8-7-9-14-13(2,3)4/h12,14H,7-11H2,1-6H3
InChIKeyAHQZWUZRQBLJDP-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(dimethylamino)ethoxy]pentan-1-amine?
The IUPAC name of N-tert-butyl-4-[2-(dimethylamino)ethoxy]pentan-1-amine (CID 62458236) is N-tert-butyl-4-[2-(dimethylamino)ethoxy]pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-[2-(dimethylamino)ethoxy]pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-[2-(dimethylamino)ethoxy]pentan-1-amine is CC(CCCNC(C)(C)C)OCCN(C)C.
What is the InChIKey of N-tert-butyl-4-[2-(dimethylamino)ethoxy]pentan-1-amine?
The InChIKey is AHQZWUZRQBLJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-12(16-11-10-15(5)6)8-7-9-14-13(2,3)4/h12,14H,7-11H2,1-6H3.
What are the key properties of N-tert-butyl-4-[2-(dimethylamino)ethoxy]pentan-1-amine?
N-tert-butyl-4-[2-(dimethylamino)ethoxy]pentan-1-amine has a molecular weight of 230.40 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[2-(dimethylamino)ethoxy]pentan-1-amine is sourced from PubChem (CID 62458236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).