1-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine

C10H21NO — CID 82719668

IUPAC1-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine
SMILESCCC(NOC(C)(C)C)C1CC1
InChIInChI=1S/C10H21NO/c1-5-9(8-6-7-8)11-12-10(2,3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyIDLKKSBFCZYGGC-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.49
Rot. Bonds4

About 1-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine

1-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine (PubChem CID 82719668) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine
PubChem CID82719668
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine
SMILESCCC(NOC(C)(C)C)C1CC1
InChIInChI=1S/C10H21NO/c1-5-9(8-6-7-8)11-12-10(2,3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyIDLKKSBFCZYGGC-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.49
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 1-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The IUPAC name of 1-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine (CID 82719668) is 1-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine is CCC(NOC(C)(C)C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The InChIKey is IDLKKSBFCZYGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-9(8-6-7-8)11-12-10(2,3)4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 1-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine?
1-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine is sourced from PubChem (CID 82719668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).