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

C12H21NO — CID 106229517

IUPACN-[3-(oxolan-2-yl)propyl]pent-1-yn-3-amine
SMILESC#CC(CC)NCCCC1CCCO1
InChIInChI=1S/C12H21NO/c1-3-11(4-2)13-9-5-7-12-8-6-10-14-12/h1,11-13H,4-10H2,2H3
InChIKeyAPWJSYIOGQEWTD-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.95
Rot. Bonds6

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

N-[3-(oxolan-2-yl)propyl]pent-1-yn-3-amine (PubChem CID 106229517) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[3-(oxolan-2-yl)propyl]pent-1-yn-3-amine.

Molecular Properties

Compound NameN-[3-(oxolan-2-yl)propyl]pent-1-yn-3-amine
PubChem CID106229517
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[3-(oxolan-2-yl)propyl]pent-1-yn-3-amine
SMILESC#CC(CC)NCCCC1CCCO1
InChIInChI=1S/C12H21NO/c1-3-11(4-2)13-9-5-7-12-8-6-10-14-12/h1,11-13H,4-10H2,2H3
InChIKeyAPWJSYIOGQEWTD-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
N-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine
CID 65163624
(2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
CID 104868334
N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81385044
N-[3-(oxolan-2-yl)propyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 65163462
1-chloro-N-[2-(oxolan-2-yl)ethyl]butan-2-amine
CID 65165393
1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine
CID 65328878
N-[2-(oxolan-2-yl)ethyl]prop-2-yn-1-amine
CID 62141075
2-ethyl-N-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 104668425
2-(oxan-2-yl)-N-pent-1-yn-3-ylacetamide
CID 103579125
1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine
CID 104629286
N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine
CID 65164663

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-yl)propyl]pent-1-yn-3-amine?
The IUPAC name of N-[3-(oxolan-2-yl)propyl]pent-1-yn-3-amine (CID 106229517) is N-[3-(oxolan-2-yl)propyl]pent-1-yn-3-amine.
What is the SMILES notation for N-[3-(oxolan-2-yl)propyl]pent-1-yn-3-amine?
The canonical SMILES for N-[3-(oxolan-2-yl)propyl]pent-1-yn-3-amine is C#CC(CC)NCCCC1CCCO1.
What is the InChIKey of N-[3-(oxolan-2-yl)propyl]pent-1-yn-3-amine?
The InChIKey is APWJSYIOGQEWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-11(4-2)13-9-5-7-12-8-6-10-14-12/h1,11-13H,4-10H2,2H3.
What are the key properties of N-[3-(oxolan-2-yl)propyl]pent-1-yn-3-amine?
N-[3-(oxolan-2-yl)propyl]pent-1-yn-3-amine has a molecular weight of 195.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-yl)propyl]pent-1-yn-3-amine is sourced from PubChem (CID 106229517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).