2-methyl-N-propan-2-ylbut-3-yn-2-amine

C8H15N — CID 63997072

IUPAC2-methyl-N-propan-2-ylbut-3-yn-2-amine
SMILESC#CC(C)(C)NC(C)C
InChIInChI=1S/C8H15N/c1-6-8(4,5)9-7(2)3/h1,7,9H,2-5H3
InChIKeyIEKVAVZDQVUJGK-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.40
Rot. Bonds2

About 2-methyl-N-propan-2-ylbut-3-yn-2-amine

2-methyl-N-propan-2-ylbut-3-yn-2-amine (PubChem CID 63997072) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2-methyl-N-propan-2-ylbut-3-yn-2-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-ylbut-3-yn-2-amine
PubChem CID63997072
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2-methyl-N-propan-2-ylbut-3-yn-2-amine
SMILESC#CC(C)(C)NC(C)C
InChIInChI=1S/C8H15N/c1-6-8(4,5)9-7(2)3/h1,7,9H,2-5H3
InChIKeyIEKVAVZDQVUJGK-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.40
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 2-methyl-N-propan-2-ylbut-3-yn-2-amine?
The IUPAC name of 2-methyl-N-propan-2-ylbut-3-yn-2-amine (CID 63997072) is 2-methyl-N-propan-2-ylbut-3-yn-2-amine.
What is the SMILES notation for 2-methyl-N-propan-2-ylbut-3-yn-2-amine?
The canonical SMILES for 2-methyl-N-propan-2-ylbut-3-yn-2-amine is C#CC(C)(C)NC(C)C.
What is the InChIKey of 2-methyl-N-propan-2-ylbut-3-yn-2-amine?
The InChIKey is IEKVAVZDQVUJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6-8(4,5)9-7(2)3/h1,7,9H,2-5H3.
What are the key properties of 2-methyl-N-propan-2-ylbut-3-yn-2-amine?
2-methyl-N-propan-2-ylbut-3-yn-2-amine has a molecular weight of 125.21 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-ylbut-3-yn-2-amine is sourced from PubChem (CID 63997072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).