N-(oxolan-3-ylmethyl)hex-1-yn-3-amine

C11H19NO — CID 106226251

IUPACN-(oxolan-3-ylmethyl)hex-1-yn-3-amine
SMILESC#CC(CCC)NCC1CCOC1
InChIInChI=1S/C11H19NO/c1-3-5-11(4-2)12-8-10-6-7-13-9-10/h2,10-12H,3,5-9H2,1H3
InChIKeyMZSSOTZANSKXFX-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.41
Rot. Bonds5

About N-(oxolan-3-ylmethyl)hex-1-yn-3-amine

N-(oxolan-3-ylmethyl)hex-1-yn-3-amine (PubChem CID 106226251) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)hex-1-yn-3-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)hex-1-yn-3-amine
PubChem CID106226251
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-(oxolan-3-ylmethyl)hex-1-yn-3-amine
SMILESC#CC(CCC)NCC1CCOC1
InChIInChI=1S/C11H19NO/c1-3-5-11(4-2)12-8-10-6-7-13-9-10/h2,10-12H,3,5-9H2,1H3
InChIKeyMZSSOTZANSKXFX-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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'}

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Related Compounds

N-hex-1-yn-3-yloxolane-3-carboxamide
CID 103528440
ethyl 2-(oxolan-3-ylmethylamino)pentanoate
CID 79041046
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine
CID 134457089
N-hex-1-yn-3-yloxane-4-sulfonamide
CID 106898803
methyl 2-(oxolan-3-ylmethylamino)hexanoate
CID 103868431
N-ethyl-1-(oxolan-3-yl)hex-5-yn-2-amine
CID 103987258
N-(oxolan-3-ylmethyl)but-3-en-2-amine
CID 115887872
1-N,1-N,3-trimethyl-2-N-(oxolan-3-ylmethyl)butane-1,2-diamine
CID 61477177
4-methyl-3-(oxolan-3-ylmethylamino)pentan-1-ol
CID 115887731
4-methylsulfanyl-N-(oxolan-3-ylmethyl)butan-2-amine
CID 115887609
2-(oxolan-3-ylmethylamino)butanoic acid
CID 64668954

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)hex-1-yn-3-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)hex-1-yn-3-amine (CID 106226251) is N-(oxolan-3-ylmethyl)hex-1-yn-3-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)hex-1-yn-3-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)hex-1-yn-3-amine is C#CC(CCC)NCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)hex-1-yn-3-amine?
The InChIKey is MZSSOTZANSKXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-5-11(4-2)12-8-10-6-7-13-9-10/h2,10-12H,3,5-9H2,1H3.
What are the key properties of N-(oxolan-3-ylmethyl)hex-1-yn-3-amine?
N-(oxolan-3-ylmethyl)hex-1-yn-3-amine has a molecular weight of 181.28 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)hex-1-yn-3-amine is sourced from PubChem (CID 106226251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).