2,2-dimethyl-N-propan-2-yloxypropan-1-amine

C8H19NO — CID 123702172

IUPAC2,2-dimethyl-N-propan-2-yloxypropan-1-amine
SMILESCC(C)ONCC(C)(C)C
InChIInChI=1S/C8H19NO/c1-7(2)10-9-6-8(3,4)5/h7,9H,6H2,1-5H3
InChIKeyCYONCLRXGZHXIA-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.96
Rot. Bonds3

About 2,2-dimethyl-N-propan-2-yloxypropan-1-amine

2,2-dimethyl-N-propan-2-yloxypropan-1-amine (PubChem CID 123702172) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 2,2-dimethyl-N-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propan-2-yloxypropan-1-amine
PubChem CID123702172
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name2,2-dimethyl-N-propan-2-yloxypropan-1-amine
SMILESCC(C)ONCC(C)(C)C
InChIInChI=1S/C8H19NO/c1-7(2)10-9-6-8(3,4)5/h7,9H,6H2,1-5H3
InChIKeyCYONCLRXGZHXIA-UHFFFAOYSA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propan-2-yloxypropan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propan-2-yloxypropan-1-amine (CID 123702172) is 2,2-dimethyl-N-propan-2-yloxypropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propan-2-yloxypropan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propan-2-yloxypropan-1-amine is CC(C)ONCC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-propan-2-yloxypropan-1-amine?
The InChIKey is CYONCLRXGZHXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-7(2)10-9-6-8(3,4)5/h7,9H,6H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-propan-2-yloxypropan-1-amine?
2,2-dimethyl-N-propan-2-yloxypropan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 123702172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).