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

C14H29NO — CID 116523574

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(CC1CCC(C)(C)O1)C(C)C
InChIInChI=1S/C14H29NO/c1-6-15-10-12(11(2)3)9-13-7-8-14(4,5)16-13/h11-13,15H,6-10H2,1-5H3
InChIKeyMNFVSLJXJYZDEQ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds6

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

2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-3-methylbutan-1-amine (PubChem CID 116523574) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-3-methylbutan-1-amine
PubChem CID116523574
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(CC1CCC(C)(C)O1)C(C)C
InChIInChI=1S/C14H29NO/c1-6-15-10-12(11(2)3)9-13-7-8-14(4,5)16-13/h11-13,15H,6-10H2,1-5H3
InChIKeyMNFVSLJXJYZDEQ-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3-dimethylbutan-1-amine
CID 116523573
1-(5,5-dimethyloxolan-2-yl)-N-ethylpropan-2-amine
CID 116524133
5-(3-chloro-2-methylpropyl)-2,2-dimethyloxolane
CID 116525177
3-methyl-N-(2-methylpropyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900270
1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol
CID 116525058
2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 116523803
1-(5,5-dimethyloxolan-2-yl)butan-2-amine
CID 116524943
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)butan-1-amine
CID 116523688
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-2-methylbut-3-en-1-amine
CID 102640712
N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine
CID 116523545
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 116523809
1-(5,5-dimethyloxolan-2-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 116525065

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-3-methylbutan-1-amine (CID 116523574) is 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-3-methylbutan-1-amine is CCNCC(CC1CCC(C)(C)O1)C(C)C.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-3-methylbutan-1-amine?
The InChIKey is MNFVSLJXJYZDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-15-10-12(11(2)3)9-13-7-8-14(4,5)16-13/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-3-methylbutan-1-amine?
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-3-methylbutan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 6 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-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 116523574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).