N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine

C9H21NO — CID 53413891

IUPACN-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine
SMILESCC(C)NCCOC(C)(C)C
InChIInChI=1S/C9H21NO/c1-8(2)10-6-7-11-9(3,4)5/h8,10H,6-7H2,1-5H3
InChIKeyHTHFRPGYLLKULZ-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.80
Rot. Bonds4

About N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine

N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine (PubChem CID 53413891) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine
PubChem CID53413891
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine
SMILESCC(C)NCCOC(C)(C)C
InChIInChI=1S/C9H21NO/c1-8(2)10-6-7-11-9(3,4)5/h8,10H,6-7H2,1-5H3
InChIKeyHTHFRPGYLLKULZ-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.80
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-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine (CID 53413891) is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine is CC(C)NCCOC(C)(C)C.
What is the InChIKey of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine?
The InChIKey is HTHFRPGYLLKULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(2)10-6-7-11-9(3,4)5/h8,10H,6-7H2,1-5H3.
What are the key properties of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine?
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine is sourced from PubChem (CID 53413891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).