1-(2-methylcyclopropyl)pent-4-yn-1-amine

C9H15N — CID 65422769

IUPAC1-(2-methylcyclopropyl)pent-4-yn-1-amine
SMILESC#CCCC(N)C1CC1C
InChIInChI=1S/C9H15N/c1-3-4-5-9(10)8-6-7(8)2/h1,7-9H,4-6,10H2,2H3
InChIKeyYZEDYNSBTIUIJK-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.38
Rot. Bonds3

About 1-(2-methylcyclopropyl)pent-4-yn-1-amine

1-(2-methylcyclopropyl)pent-4-yn-1-amine (PubChem CID 65422769) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-(2-methylcyclopropyl)pent-4-yn-1-amine.

Molecular Properties

Compound Name1-(2-methylcyclopropyl)pent-4-yn-1-amine
PubChem CID65422769
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-(2-methylcyclopropyl)pent-4-yn-1-amine
SMILESC#CCCC(N)C1CC1C
InChIInChI=1S/C9H15N/c1-3-4-5-9(10)8-6-7(8)2/h1,7-9H,4-6,10H2,2H3
InChIKeyYZEDYNSBTIUIJK-UHFFFAOYSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.38
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 1-(2-methylcyclopropyl)pent-4-yn-1-amine?
The IUPAC name of 1-(2-methylcyclopropyl)pent-4-yn-1-amine (CID 65422769) is 1-(2-methylcyclopropyl)pent-4-yn-1-amine.
What is the SMILES notation for 1-(2-methylcyclopropyl)pent-4-yn-1-amine?
The canonical SMILES for 1-(2-methylcyclopropyl)pent-4-yn-1-amine is C#CCCC(N)C1CC1C.
What is the InChIKey of 1-(2-methylcyclopropyl)pent-4-yn-1-amine?
The InChIKey is YZEDYNSBTIUIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-4-5-9(10)8-6-7(8)2/h1,7-9H,4-6,10H2,2H3.
What are the key properties of 1-(2-methylcyclopropyl)pent-4-yn-1-amine?
1-(2-methylcyclopropyl)pent-4-yn-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopropyl)pent-4-yn-1-amine is sourced from PubChem (CID 65422769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).