3-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-propan-2-ylbutan-1-amine

C14H29NO — CID 102904444

IUPAC3-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-propan-2-ylbutan-1-amine
SMILESCC1CCC(CNCC(C(C)C)C(C)C)O1
InChIInChI=1S/C14H29NO/c1-10(2)14(11(3)4)9-15-8-13-7-6-12(5)16-13/h10-15H,6-9H2,1-5H3
InChIKeyUMUZCBHEETVVAC-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.07
Rot. Bonds6

About 3-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-propan-2-ylbutan-1-amine

3-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-propan-2-ylbutan-1-amine (PubChem CID 102904444) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-propan-2-ylbutan-1-amine
PubChem CID102904444
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-propan-2-ylbutan-1-amine
SMILESCC1CCC(CNCC(C(C)C)C(C)C)O1
InChIInChI=1S/C14H29NO/c1-10(2)14(11(3)4)9-15-8-13-7-6-12(5)16-13/h10-15H,6-9H2,1-5H3
InChIKeyUMUZCBHEETVVAC-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N-dimethyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine
CID 82835760
3-[(5-methyloxolan-2-yl)methylamino]propane-1,2-diol
CID 82835676
4-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-morpholin-4-ylpentan-1-amine
CID 82834332
2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836481
N-[(5-methyloxolan-2-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 82834516
N'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106040718
N-[(5-methyloxolan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106007697
(2R)-2-[(5-methyloxolan-2-yl)methylamino]propan-1-ol
CID 114985738
N',N'-dimethyl-N-[(5-methyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 82834863
N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 81330041
N-[(5-methyloxolan-2-yl)methyl]octan-1-amine
CID 82835383
N-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 82835456

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-propan-2-ylbutan-1-amine (CID 102904444) is 3-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-propan-2-ylbutan-1-amine is CC1CCC(CNCC(C(C)C)C(C)C)O1.
What is the InChIKey of 3-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-propan-2-ylbutan-1-amine?
The InChIKey is UMUZCBHEETVVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-10(2)14(11(3)4)9-15-8-13-7-6-12(5)16-13/h10-15H,6-9H2,1-5H3.
What are the key properties of 3-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-propan-2-ylbutan-1-amine?
3-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-propan-2-ylbutan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102904444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).