N-hex-1-yn-3-yl-2,2,5,5-tetramethyloxolan-3-amine

C14H25NO — CID 106226802

IUPACN-hex-1-yn-3-yl-2,2,5,5-tetramethyloxolan-3-amine
SMILESC#CC(CCC)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H25NO/c1-7-9-11(8-2)15-12-10-13(3,4)16-14(12,5)6/h2,11-12,15H,7,9-10H2,1,3-6H3
InChIKeyRUHUPFCLRAZJCJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.72
Rot. Bonds4

About N-hex-1-yn-3-yl-2,2,5,5-tetramethyloxolan-3-amine

N-hex-1-yn-3-yl-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 106226802) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID106226802
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-hex-1-yn-3-yl-2,2,5,5-tetramethyloxolan-3-amine
SMILESC#CC(CCC)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H25NO/c1-7-9-11(8-2)15-12-10-13(3,4)16-14(12,5)6/h2,11-12,15H,7,9-10H2,1,3-6H3
InChIKeyRUHUPFCLRAZJCJ-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,5,5-tetramethyl-N-pent-1-yn-3-yloxolan-3-amine
CID 106225278
1-N,1-N-dimethyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine
CID 79928044
2,2,5,5-tetramethyl-N-(1-methylsulfonylpropan-2-yl)oxolan-3-amine
CID 79928275
N-hex-1-yn-3-yl-1-methylpyrrolidin-3-amine
CID 106225749
N-prop-2-enylhex-1-yn-3-amine
CID 106229885
N-hex-1-yn-3-yl-2,3-dihydro-1H-inden-2-amine
CID 106227277
1-(aminomethyl)-N-hex-1-yn-3-yl-3-methylcyclobutan-1-amine
CID 106227974
N-hex-1-yn-3-yl-5-methylthiolan-3-amine
CID 106225796
N-[(1S)-1-cycloheptylethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 81391451
2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide
CID 79916589
N-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine
CID 106227218
2,2,5,5-tetramethyl-N-[1-(oxan-4-yl)ethyl]oxolan-3-amine
CID 113262765

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-hex-1-yn-3-yl-2,2,5,5-tetramethyloxolan-3-amine (CID 106226802) is N-hex-1-yn-3-yl-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-hex-1-yn-3-yl-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-hex-1-yn-3-yl-2,2,5,5-tetramethyloxolan-3-amine is C#CC(CCC)NC1CC(C)(C)OC1(C)C.
What is the InChIKey of N-hex-1-yn-3-yl-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is RUHUPFCLRAZJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-7-9-11(8-2)15-12-10-13(3,4)16-14(12,5)6/h2,11-12,15H,7,9-10H2,1,3-6H3.
What are the key properties of N-hex-1-yn-3-yl-2,2,5,5-tetramethyloxolan-3-amine?
N-hex-1-yn-3-yl-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 223.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yl-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 106226802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).