N-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine

C16H25NO — CID 62719389

IUPACN-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2ccccc2)CCOC1
InChIInChI=1S/C16H25NO/c1-15(2,3)17-12-16(9-10-18-13-16)11-14-7-5-4-6-8-14/h4-8,17H,9-13H2,1-3H3
InChIKeyAFPUKSGZWKQAKZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.02
Rot. Bonds4

About N-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine

N-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine (PubChem CID 62719389) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine
PubChem CID62719389
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2ccccc2)CCOC1
InChIInChI=1S/C16H25NO/c1-15(2,3)17-12-16(9-10-18-13-16)11-14-7-5-4-6-8-14/h4-8,17H,9-13H2,1-3H3
InChIKeyAFPUKSGZWKQAKZ-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718039
N-[[3-[(3-chlorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62719571
N-[(1-benzylcyclobutyl)methyl]-2-methylpropan-2-amine
CID 65194402
1-(4-benzyloxan-4-yl)-N-methylmethanamine
CID 62905192
N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79219918
N-[[4-[(2,6-dichlorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62905045
N-[[3-[(5-bromo-2-pyridinyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 104810695
2-methyl-N-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62256483
2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine
CID 62719213
N-[[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79228111
1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62718017
N-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine
CID 62719007

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine (CID 62719389) is N-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(Cc2ccccc2)CCOC1.
What is the InChIKey of N-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is AFPUKSGZWKQAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2,3)17-12-16(9-10-18-13-16)11-14-7-5-4-6-8-14/h4-8,17H,9-13H2,1-3H3.
What are the key properties of N-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine?
N-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62719389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).