N-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine

C11H19NO — CID 115725224

IUPACN-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine
SMILESC#CCC(C)NC(C)C1CCOC1
InChIInChI=1S/C11H19NO/c1-4-5-9(2)12-10(3)11-6-7-13-8-11/h1,9-12H,5-8H2,2-3H3
InChIKeyLTKSWIFYBWDXTF-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.41
Rot. Bonds4

About N-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine

N-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine (PubChem CID 115725224) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine
PubChem CID115725224
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine
SMILESC#CCC(C)NC(C)C1CCOC1
InChIInChI=1S/C11H19NO/c1-4-5-9(2)12-10(3)11-6-7-13-8-11/h1,9-12H,5-8H2,2-3H3
InChIKeyLTKSWIFYBWDXTF-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine
CID 115721709
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115677339
4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine
CID 115892028
N-[1-(oxolan-3-yl)ethyl]hexan-3-amine
CID 115888979
N-[1-(oxolan-3-yl)propyl]hex-5-yn-3-amine
CID 115723659
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115724005
5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine
CID 115723984
4-methylsulfanyl-2-[1-(oxolan-3-yl)ethylamino]butan-1-ol
CID 115894360
2-methyl-3-[1-(oxolan-3-yl)ethylamino]butan-2-ol
CID 115919249
2-[1-(oxolan-3-yl)ethylamino]butanamide
CID 115660058
methyl 2-[1-(oxolan-3-yl)ethylamino]propanoate
CID 115660027

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine?
The IUPAC name of N-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine (CID 115725224) is N-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine.
What is the SMILES notation for N-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine?
The canonical SMILES for N-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine is C#CCC(C)NC(C)C1CCOC1.
What is the InChIKey of N-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine?
The InChIKey is LTKSWIFYBWDXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-5-9(2)12-10(3)11-6-7-13-8-11/h1,9-12H,5-8H2,2-3H3.
What are the key properties of N-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine?
N-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine is sourced from PubChem (CID 115725224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).