3-(aminomethyl)-N-hex-1-yn-3-yloxolan-3-amine

C11H20N2O — CID 106228501

IUPAC3-(aminomethyl)-N-hex-1-yn-3-yloxolan-3-amine
SMILESC#CC(CCC)NC1(CN)CCOC1
InChIInChI=1S/C11H20N2O/c1-3-5-10(4-2)13-11(8-12)6-7-14-9-11/h2,10,13H,3,5-9,12H2,1H3
InChIKeyAWLSBXNFZPCDKJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.50
Rot. Bonds5

About 3-(aminomethyl)-N-hex-1-yn-3-yloxolan-3-amine

3-(aminomethyl)-N-hex-1-yn-3-yloxolan-3-amine (PubChem CID 106228501) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(aminomethyl)-N-hex-1-yn-3-yloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-hex-1-yn-3-yloxolan-3-amine
PubChem CID106228501
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-(aminomethyl)-N-hex-1-yn-3-yloxolan-3-amine
SMILESC#CC(CCC)NC1(CN)CCOC1
InChIInChI=1S/C11H20N2O/c1-3-5-10(4-2)13-11(8-12)6-7-14-9-11/h2,10,13H,3,5-9,12H2,1H3
InChIKeyAWLSBXNFZPCDKJ-UHFFFAOYSA-N
XLogP0.50
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-hex-1-yn-3-yl-3-methylcyclobutan-1-amine
CID 106227974
3-(aminomethyl)-N-but-3-ynyloxolan-3-amine
CID 116641093
2-(aminomethyl)-N-hex-1-yn-3-yladamantan-2-amine
CID 106227916
4-(aminomethyl)-N-prop-2-ynyloxan-4-amine
CID 65379972
1-(aminomethyl)-N-hex-1-yn-3-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine
CID 114161007
1-(aminomethyl)-N-but-3-yn-2-ylcyclobutan-1-amine
CID 114415847
2-[[3-(aminomethyl)oxolan-3-yl]amino]ethanol;ethane
CID 144870956
4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride
CID 72942834
4-(hex-1-yn-3-ylcarbamoylamino)oxane-4-carboxylic acid
CID 106232406
2-N-hex-1-yn-3-ylbutane-1,2-diamine
CID 106228269
N-hex-1-yn-3-yloxolane-3-carboxamide
CID 103528440
3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine
CID 65378588

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-hex-1-yn-3-yloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-hex-1-yn-3-yloxolan-3-amine (CID 106228501) is 3-(aminomethyl)-N-hex-1-yn-3-yloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-hex-1-yn-3-yloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-hex-1-yn-3-yloxolan-3-amine is C#CC(CCC)NC1(CN)CCOC1.
What is the InChIKey of 3-(aminomethyl)-N-hex-1-yn-3-yloxolan-3-amine?
The InChIKey is AWLSBXNFZPCDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-5-10(4-2)13-11(8-12)6-7-14-9-11/h2,10,13H,3,5-9,12H2,1H3.
What are the key properties of 3-(aminomethyl)-N-hex-1-yn-3-yloxolan-3-amine?
3-(aminomethyl)-N-hex-1-yn-3-yloxolan-3-amine has a molecular weight of 196.29 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-hex-1-yn-3-yloxolan-3-amine is sourced from PubChem (CID 106228501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).