2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3-dimethylbutan-1-amine

C13H27NO — CID 116523573

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3-dimethylbutan-1-amine
SMILESCNCC(CC1CCC(C)(C)O1)C(C)C
InChIInChI=1S/C13H27NO/c1-10(2)11(9-14-5)8-12-6-7-13(3,4)15-12/h10-12,14H,6-9H2,1-5H3
InChIKeyZZDHMIIMWSAMPQ-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds5

About 2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3-dimethylbutan-1-amine

2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3-dimethylbutan-1-amine (PubChem CID 116523573) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3-dimethylbutan-1-amine
PubChem CID116523573
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3-dimethylbutan-1-amine
SMILESCNCC(CC1CCC(C)(C)O1)C(C)C
InChIInChI=1S/C13H27NO/c1-10(2)11(9-14-5)8-12-6-7-13(3,4)15-12/h10-12,14H,6-9H2,1-5H3
InChIKeyZZDHMIIMWSAMPQ-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 116523574
2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 116523803
5-(3-chloro-2-methylpropyl)-2,2-dimethyloxolane
CID 116525177
1-(5,5-dimethyloxolan-2-yl)-N-ethylpropan-2-amine
CID 116524133
4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine
CID 116522565
2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine
CID 62529539
3-methyl-N-(2-methylpropyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900270
1-(5,5-dimethyloxolan-2-yl)butan-2-amine
CID 116524943
1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol
CID 116525058
N-[2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)propyl]cyclopropanamine
CID 116523829
5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane
CID 116523355
N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine
CID 116523545

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3-dimethylbutan-1-amine (CID 116523573) is 2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3-dimethylbutan-1-amine is CNCC(CC1CCC(C)(C)O1)C(C)C.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3-dimethylbutan-1-amine?
The InChIKey is ZZDHMIIMWSAMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)11(9-14-5)8-12-6-7-13(3,4)15-12/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3-dimethylbutan-1-amine?
2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3-dimethylbutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 116523573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).