acetylene;N-propan-2-ylpropan-2-amine

C8H17N — CID 88622285

IUPACacetylene;N-propan-2-ylpropan-2-amine
SMILESC#C.CC(C)NC(C)C
InChIInChI=1S/C6H15N.C2H2/c1-5(2)7-6(3)4;1-2/h5-7H,1-4H3;1-2H
InChIKeyIIDYUMGYTISRAA-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.64
Rot. Bonds2

About acetylene;N-propan-2-ylpropan-2-amine

acetylene;N-propan-2-ylpropan-2-amine (PubChem CID 88622285) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is acetylene;N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Nameacetylene;N-propan-2-ylpropan-2-amine
PubChem CID88622285
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Nameacetylene;N-propan-2-ylpropan-2-amine
SMILESC#C.CC(C)NC(C)C
InChIInChI=1S/C6H15N.C2H2/c1-5(2)7-6(3)4;1-2/h5-7H,1-4H3;1-2H
InChIKeyIIDYUMGYTISRAA-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetylene;N-propan-2-ylpropan-2-amine?
The IUPAC name of acetylene;N-propan-2-ylpropan-2-amine (CID 88622285) is acetylene;N-propan-2-ylpropan-2-amine.
What is the SMILES notation for acetylene;N-propan-2-ylpropan-2-amine?
The canonical SMILES for acetylene;N-propan-2-ylpropan-2-amine is C#C.CC(C)NC(C)C.
What is the InChIKey of acetylene;N-propan-2-ylpropan-2-amine?
The InChIKey is IIDYUMGYTISRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2H2/c1-5(2)7-6(3)4;1-2/h5-7H,1-4H3;1-2H.
What are the key properties of acetylene;N-propan-2-ylpropan-2-amine?
acetylene;N-propan-2-ylpropan-2-amine has a molecular weight of 127.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 88622285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).