5,5-dimethyl-1-(oxolan-3-yl)hex-3-yn-1-amine

C12H21NO — CID 126973745

IUPAC5,5-dimethyl-1-(oxolan-3-yl)hex-3-yn-1-amine
SMILESCC(C)(C)C#CCC(N)C1CCOC1
InChIInChI=1S/C12H21NO/c1-12(2,3)7-4-5-11(13)10-6-8-14-9-10/h10-11H,5-6,8-9,13H2,1-3H3
InChIKeyFMOAHTFKDWSXSC-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.79
Rot. Bonds2

About 5,5-dimethyl-1-(oxolan-3-yl)hex-3-yn-1-amine

5,5-dimethyl-1-(oxolan-3-yl)hex-3-yn-1-amine (PubChem CID 126973745) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 5,5-dimethyl-1-(oxolan-3-yl)hex-3-yn-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-1-(oxolan-3-yl)hex-3-yn-1-amine
PubChem CID126973745
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name5,5-dimethyl-1-(oxolan-3-yl)hex-3-yn-1-amine
SMILESCC(C)(C)C#CCC(N)C1CCOC1
InChIInChI=1S/C12H21NO/c1-12(2,3)7-4-5-11(13)10-6-8-14-9-10/h10-11H,5-6,8-9,13H2,1-3H3
InChIKeyFMOAHTFKDWSXSC-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.79
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-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine
CID 104748924
1-(oxolan-3-yl)butan-1-amine
CID 63564938
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469
1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 104749589
2-(4-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748475
1,2-bis(oxolan-3-yl)ethanamine
CID 103986754
2-(2,2-difluoro-1-methylcyclopropyl)-1-(oxolan-3-yl)ethanamine
CID 164659617
N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744855
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
N'-(1-methoxypropan-2-yl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745360
2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine
CID 104748684
2-ethoxy-2-methyl-1-(oxolan-3-yl)propan-1-amine
CID 116726248

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(oxolan-3-yl)hex-3-yn-1-amine?
The IUPAC name of 5,5-dimethyl-1-(oxolan-3-yl)hex-3-yn-1-amine (CID 126973745) is 5,5-dimethyl-1-(oxolan-3-yl)hex-3-yn-1-amine.
What is the SMILES notation for 5,5-dimethyl-1-(oxolan-3-yl)hex-3-yn-1-amine?
The canonical SMILES for 5,5-dimethyl-1-(oxolan-3-yl)hex-3-yn-1-amine is CC(C)(C)C#CCC(N)C1CCOC1.
What is the InChIKey of 5,5-dimethyl-1-(oxolan-3-yl)hex-3-yn-1-amine?
The InChIKey is FMOAHTFKDWSXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(2,3)7-4-5-11(13)10-6-8-14-9-10/h10-11H,5-6,8-9,13H2,1-3H3.
What are the key properties of 5,5-dimethyl-1-(oxolan-3-yl)hex-3-yn-1-amine?
5,5-dimethyl-1-(oxolan-3-yl)hex-3-yn-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(oxolan-3-yl)hex-3-yn-1-amine is sourced from PubChem (CID 126973745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).