(3R)-N-benzyl-N-methyloxolan-3-amine

C12H17NO — CID 178043856

IUPAC(3R)-N-benzyl-N-methyloxolan-3-amine
SMILESCN(Cc1ccccc1)[C@@H]1CCOC1
InChIInChI=1S/C12H17NO/c1-13(12-7-8-14-10-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3/t12-/m1/s1
InChIKeySMQFNQGZWSICEM-GFCCVEGCSA-N
MW191.27 g/mol
LogP1.91
Rot. Bonds3

About (3R)-N-benzyl-N-methyloxolan-3-amine

(3R)-N-benzyl-N-methyloxolan-3-amine (PubChem CID 178043856) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (3R)-N-benzyl-N-methyloxolan-3-amine.

Molecular Properties

Compound Name(3R)-N-benzyl-N-methyloxolan-3-amine
PubChem CID178043856
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(3R)-N-benzyl-N-methyloxolan-3-amine
SMILESCN(Cc1ccccc1)[C@@H]1CCOC1
InChIInChI=1S/C12H17NO/c1-13(12-7-8-14-10-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3/t12-/m1/s1
InChIKeySMQFNQGZWSICEM-GFCCVEGCSA-N
XLogP1.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxolan-3-amine
CID 63558537
N-benzyl-N-(2-bromoethyl)oxolan-3-amine
CID 80680161
3-[methyl(oxolan-3-yl)amino]-2-phenylpropanenitrile
CID 82738157
N-benzyl-N-(oxolan-3-yl)ethenesulfonamide
CID 167974563
1-[4-[[methyl(oxolan-3-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 138546528
N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane
CID 161499393
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine
CID 107878596
N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methyloxolan-3-amine
CID 82743836
4-[[methyl(oxan-4-yl)amino]methyl]benzoic acid
CID 43611411
4-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carbonitrile
CID 115384913
1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol
CID 111613392
3-[[methyl(oxolan-3-yl)amino]methyl]thiophene-2-carboxylic acid
CID 82742607

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-N-methyloxolan-3-amine?
The IUPAC name of (3R)-N-benzyl-N-methyloxolan-3-amine (CID 178043856) is (3R)-N-benzyl-N-methyloxolan-3-amine.
What is the SMILES notation for (3R)-N-benzyl-N-methyloxolan-3-amine?
The canonical SMILES for (3R)-N-benzyl-N-methyloxolan-3-amine is CN(Cc1ccccc1)[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-benzyl-N-methyloxolan-3-amine?
The InChIKey is SMQFNQGZWSICEM-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17NO/c1-13(12-7-8-14-10-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-N-benzyl-N-methyloxolan-3-amine?
(3R)-N-benzyl-N-methyloxolan-3-amine has a molecular weight of 191.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-N-methyloxolan-3-amine is sourced from PubChem (CID 178043856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).