1-(2,2,3,3-tetramethylcyclopropyl)hex-5-yn-1-amine

C13H23N — CID 105033966

IUPAC1-(2,2,3,3-tetramethylcyclopropyl)hex-5-yn-1-amine
SMILESC#CCCCC(N)C1C(C)(C)C1(C)C
InChIInChI=1S/C13H23N/c1-6-7-8-9-10(14)11-12(2,3)13(11,4)5/h1,10-11H,7-9,14H2,2-5H3
InChIKeySUAWHFFCWWNQLX-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.80
Rot. Bonds4

About 1-(2,2,3,3-tetramethylcyclopropyl)hex-5-yn-1-amine

1-(2,2,3,3-tetramethylcyclopropyl)hex-5-yn-1-amine (PubChem CID 105033966) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-(2,2,3,3-tetramethylcyclopropyl)hex-5-yn-1-amine.

Molecular Properties

Compound Name1-(2,2,3,3-tetramethylcyclopropyl)hex-5-yn-1-amine
PubChem CID105033966
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-(2,2,3,3-tetramethylcyclopropyl)hex-5-yn-1-amine
SMILESC#CCCCC(N)C1C(C)(C)C1(C)C
InChIInChI=1S/C13H23N/c1-6-7-8-9-10(14)11-12(2,3)13(11,4)5/h1,10-11H,7-9,14H2,2-5H3
InChIKeySUAWHFFCWWNQLX-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,2,3,3-tetramethylcyclopropyl)hex-5-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetramethylcyclopropyl)hex-5-yn-1-amine?
The IUPAC name of 1-(2,2,3,3-tetramethylcyclopropyl)hex-5-yn-1-amine (CID 105033966) is 1-(2,2,3,3-tetramethylcyclopropyl)hex-5-yn-1-amine.
What is the SMILES notation for 1-(2,2,3,3-tetramethylcyclopropyl)hex-5-yn-1-amine?
The canonical SMILES for 1-(2,2,3,3-tetramethylcyclopropyl)hex-5-yn-1-amine is C#CCCCC(N)C1C(C)(C)C1(C)C.
What is the InChIKey of 1-(2,2,3,3-tetramethylcyclopropyl)hex-5-yn-1-amine?
The InChIKey is SUAWHFFCWWNQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-6-7-8-9-10(14)11-12(2,3)13(11,4)5/h1,10-11H,7-9,14H2,2-5H3.
What are the key properties of 1-(2,2,3,3-tetramethylcyclopropyl)hex-5-yn-1-amine?
1-(2,2,3,3-tetramethylcyclopropyl)hex-5-yn-1-amine has a molecular weight of 193.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetramethylcyclopropyl)hex-5-yn-1-amine is sourced from PubChem (CID 105033966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).