1-(5,5-dimethyloxolan-2-yl)butan-2-amine

C10H21NO — CID 116524943

IUPAC1-(5,5-dimethyloxolan-2-yl)butan-2-amine
SMILESCCC(N)CC1CCC(C)(C)O1
InChIInChI=1S/C10H21NO/c1-4-8(11)7-9-5-6-10(2,3)12-9/h8-9H,4-7,11H2,1-3H3
InChIKeyBBGOYKMZDHPWPL-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.07
Rot. Bonds3

About 1-(5,5-dimethyloxolan-2-yl)butan-2-amine

1-(5,5-dimethyloxolan-2-yl)butan-2-amine (PubChem CID 116524943) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(5,5-dimethyloxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(5,5-dimethyloxolan-2-yl)butan-2-amine
PubChem CID116524943
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(5,5-dimethyloxolan-2-yl)butan-2-amine
SMILESCCC(N)CC1CCC(C)(C)O1
InChIInChI=1S/C10H21NO/c1-4-8(11)7-9-5-6-10(2,3)12-9/h8-9H,4-7,11H2,1-3H3
InChIKeyBBGOYKMZDHPWPL-UHFFFAOYSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-2-amine
CID 116524948
1-(5,5-dimethyloxolan-2-yl)-N-ethylpropan-2-amine
CID 116524133
5-(3-chloro-2-methylpropyl)-2,2-dimethyloxolane
CID 116525177
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 116523943
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 116523574
1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol
CID 116525058
1-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]pentan-3-amine
CID 116524076
5-(4-chlorohexyl)-2,2-dimethyloxolane
CID 116524355
2-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-N-methylpropane-1,2-diamine
CID 116524100
2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3-dimethylbutan-1-amine
CID 116523573
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)butan-1-amine
CID 116523688
6-(5,5-dimethyloxolan-2-yl)-2,2-dimethylhexan-3-amine
CID 116524272

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyloxolan-2-yl)butan-2-amine?
The IUPAC name of 1-(5,5-dimethyloxolan-2-yl)butan-2-amine (CID 116524943) is 1-(5,5-dimethyloxolan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(5,5-dimethyloxolan-2-yl)butan-2-amine?
The canonical SMILES for 1-(5,5-dimethyloxolan-2-yl)butan-2-amine is CCC(N)CC1CCC(C)(C)O1.
What is the InChIKey of 1-(5,5-dimethyloxolan-2-yl)butan-2-amine?
The InChIKey is BBGOYKMZDHPWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-8(11)7-9-5-6-10(2,3)12-9/h8-9H,4-7,11H2,1-3H3.
What are the key properties of 1-(5,5-dimethyloxolan-2-yl)butan-2-amine?
1-(5,5-dimethyloxolan-2-yl)butan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyloxolan-2-yl)butan-2-amine is sourced from PubChem (CID 116524943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).