1-(5,5-dimethyloxolan-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine

C14H27NO2 — CID 104954515

IUPAC1-(5,5-dimethyloxolan-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
SMILESCC1(CNCC2CCC(C)(C)O2)CCOCC1
InChIInChI=1S/C14H27NO2/c1-13(2)5-4-12(17-13)10-15-11-14(3)6-8-16-9-7-14/h12,15H,4-11H2,1-3H3
InChIKeyKHODTDXHKAONSS-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.35
Rot. Bonds4

About 1-(5,5-dimethyloxolan-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine

1-(5,5-dimethyloxolan-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine (PubChem CID 104954515) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(5,5-dimethyloxolan-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5,5-dimethyloxolan-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
PubChem CID104954515
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(5,5-dimethyloxolan-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
SMILESCC1(CNCC2CCC(C)(C)O2)CCOCC1
InChIInChI=1S/C14H27NO2/c1-13(2)5-4-12(17-13)10-15-11-14(3)6-8-16-9-7-14/h12,15H,4-11H2,1-3H3
InChIKeyKHODTDXHKAONSS-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]oxolan-3-ol
CID 106100604
N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine
CID 116521230
N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 116521389
5-[[(4-methyloxan-4-yl)methylamino]methyl]oxolane-2-carboxylic acid
CID 114126034
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 104585916
N-[(1-methylcyclobutyl)methyl]-1-(oxolan-2-yl)methanamine
CID 106813007
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163
N-[3-[(5,5-dimethyloxolan-2-yl)methylamino]propyl]methanesulfonamide
CID 114175166
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine
CID 116521711
1-cyclohex-3-en-1-yl-N-[(5,5-dimethyloxolan-2-yl)methyl]methanamine
CID 116521376
N-cyclopropyl-2-[(5,5-dimethyloxolan-2-yl)methylamino]acetamide
CID 116521228
4-[(5,5-dimethyloxolan-2-yl)methyl]oxane-4-carbonitrile
CID 116524976

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyloxolan-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The IUPAC name of 1-(5,5-dimethyloxolan-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine (CID 104954515) is 1-(5,5-dimethyloxolan-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(5,5-dimethyloxolan-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The canonical SMILES for 1-(5,5-dimethyloxolan-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine is CC1(CNCC2CCC(C)(C)O2)CCOCC1.
What is the InChIKey of 1-(5,5-dimethyloxolan-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The InChIKey is KHODTDXHKAONSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2)5-4-12(17-13)10-15-11-14(3)6-8-16-9-7-14/h12,15H,4-11H2,1-3H3.
What are the key properties of 1-(5,5-dimethyloxolan-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
1-(5,5-dimethyloxolan-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine has a molecular weight of 241.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyloxolan-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine is sourced from PubChem (CID 104954515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).