5-(aminomethyl)-N-hex-5-ynyloxolane-2-carboxamide

C12H20N2O2 — CID 106212939

IUPAC5-(aminomethyl)-N-hex-5-ynyloxolane-2-carboxamide
SMILESC#CCCCCNC(=O)C1CCC(CN)O1
InChIInChI=1S/C12H20N2O2/c1-2-3-4-5-8-14-12(15)11-7-6-10(9-13)16-11/h1,10-11H,3-9,13H2,(H,14,15)
InChIKeyQNGWDCCLNIVYFH-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.41
Rot. Bonds6

About 5-(aminomethyl)-N-hex-5-ynyloxolane-2-carboxamide

5-(aminomethyl)-N-hex-5-ynyloxolane-2-carboxamide (PubChem CID 106212939) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-(aminomethyl)-N-hex-5-ynyloxolane-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-hex-5-ynyloxolane-2-carboxamide
PubChem CID106212939
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-(aminomethyl)-N-hex-5-ynyloxolane-2-carboxamide
SMILESC#CCCCCNC(=O)C1CCC(CN)O1
InChIInChI=1S/C12H20N2O2/c1-2-3-4-5-8-14-12(15)11-7-6-10(9-13)16-11/h1,10-11H,3-9,13H2,(H,14,15)
InChIKeyQNGWDCCLNIVYFH-UHFFFAOYSA-N
XLogP0.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(aminomethyl)-N-hex-5-ynyloxolane-2-carboxamide 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

5-(aminomethyl)-N-(5-methylhexyl)oxolane-2-carboxamide
CID 115325352
(2S,5R)-5-(aminomethyl)-N-[3-(dipropylamino)propyl]oxolane-2-carboxamide
CID 120798880
(2S,5R)-5-(aminomethyl)-N-[3-(diethylamino)propyl]oxolane-2-carboxamide
CID 120796832
(2S,5R)-5-(aminomethyl)-N-(3-butoxypropyl)oxolane-2-carboxamide
CID 120783198
N-hex-5-ynylcyclopropanecarboxamide
CID 103758008
(2S,5R)-5-(aminomethyl)-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]oxolane-2-carboxamide;dihydrochloride
CID 120798713
(2S,5R)-5-(aminomethyl)-N-(3,3-dimethylbutyl)oxolane-2-carboxamide
CID 120785708
(2S,5R)-5-(aminomethyl)-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]oxolane-2-carboxamide;dihydrochloride
CID 120798325
(2S,5R)-5-(aminomethyl)-N-[3-(azepan-1-yl)-3-oxopropyl]oxolane-2-carboxamide
CID 120790948
(2R,5S)-5-(but-3-ynylcarbamoyl)oxolane-2-carboxylic acid
CID 102945299
(2S,5R)-5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxolane-2-carboxamide
CID 120790364
(2S,5R)-5-(aminomethyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-2-carboxamide;hydrochloride
CID 120789211

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-hex-5-ynyloxolane-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-hex-5-ynyloxolane-2-carboxamide (CID 106212939) is 5-(aminomethyl)-N-hex-5-ynyloxolane-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-hex-5-ynyloxolane-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-hex-5-ynyloxolane-2-carboxamide is C#CCCCCNC(=O)C1CCC(CN)O1.
What is the InChIKey of 5-(aminomethyl)-N-hex-5-ynyloxolane-2-carboxamide?
The InChIKey is QNGWDCCLNIVYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-3-4-5-8-14-12(15)11-7-6-10(9-13)16-11/h1,10-11H,3-9,13H2,(H,14,15).
What are the key properties of 5-(aminomethyl)-N-hex-5-ynyloxolane-2-carboxamide?
5-(aminomethyl)-N-hex-5-ynyloxolane-2-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-hex-5-ynyloxolane-2-carboxamide is sourced from PubChem (CID 106212939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).