2,2-dimethyl-N-prop-2-ynoxypropan-1-amine

C8H15NO — CID 130737659

IUPAC2,2-dimethyl-N-prop-2-ynoxypropan-1-amine
SMILESC#CCONCC(C)(C)C
InChIInChI=1S/C8H15NO/c1-5-6-10-9-7-8(2,3)4/h1,9H,6-7H2,2-4H3
InChIKeyVSEVXAFUIRZVAV-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.19
Rot. Bonds3

About 2,2-dimethyl-N-prop-2-ynoxypropan-1-amine

2,2-dimethyl-N-prop-2-ynoxypropan-1-amine (PubChem CID 130737659) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2,2-dimethyl-N-prop-2-ynoxypropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-prop-2-ynoxypropan-1-amine
PubChem CID130737659
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2,2-dimethyl-N-prop-2-ynoxypropan-1-amine
SMILESC#CCONCC(C)(C)C
InChIInChI=1S/C8H15NO/c1-5-6-10-9-7-8(2,3)4/h1,9H,6-7H2,2-4H3
InChIKeyVSEVXAFUIRZVAV-UHFFFAOYSA-N
XLogP1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-prop-2-ynoxypropan-1-amine?
The IUPAC name of 2,2-dimethyl-N-prop-2-ynoxypropan-1-amine (CID 130737659) is 2,2-dimethyl-N-prop-2-ynoxypropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-prop-2-ynoxypropan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-prop-2-ynoxypropan-1-amine is C#CCONCC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-prop-2-ynoxypropan-1-amine?
The InChIKey is VSEVXAFUIRZVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-6-10-9-7-8(2,3)4/h1,9H,6-7H2,2-4H3.
What are the key properties of 2,2-dimethyl-N-prop-2-ynoxypropan-1-amine?
2,2-dimethyl-N-prop-2-ynoxypropan-1-amine has a molecular weight of 141.21 g/mol, XLogP of 1.19, 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-prop-2-ynoxypropan-1-amine is sourced from PubChem (CID 130737659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).