(3R)-N-[(3-chloro-4-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine

C14H21ClN2O — CID 99632685

IUPAC(3R)-N-[(3-chloro-4-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)C[C@@H](NCc2ccncc2Cl)C(C)(C)O1
InChIInChI=1S/C14H21ClN2O/c1-13(2)7-12(14(3,4)18-13)17-8-10-5-6-16-9-11(10)15/h5-6,9,12,17H,7-8H2,1-4H3/t12-/m1/s1
InChIKeyCOOJKLQBOZYZSO-GFCCVEGCSA-N
MW268.79 g/mol
LogP3.17
Rot. Bonds3

About (3R)-N-[(3-chloro-4-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine

(3R)-N-[(3-chloro-4-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 99632685) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (3R)-N-[(3-chloro-4-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound Name(3R)-N-[(3-chloro-4-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID99632685
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(3R)-N-[(3-chloro-4-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)C[C@@H](NCc2ccncc2Cl)C(C)(C)O1
InChIInChI=1S/C14H21ClN2O/c1-13(2)7-12(14(3,4)18-13)17-8-10-5-6-16-9-11(10)15/h5-6,9,12,17H,7-8H2,1-4H3/t12-/m1/s1
InChIKeyCOOJKLQBOZYZSO-GFCCVEGCSA-N
XLogP3.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79928164
2,2,5,5-tetramethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine
CID 79927526
2,2,5,5-tetramethyl-N-[(2-methylpyrimidin-4-yl)methyl]oxolan-3-amine
CID 79928842
2,2,5,5-tetramethyl-N-(1H-pyrazol-4-ylmethyl)oxolan-3-amine
CID 79927637
N-[[2-(ethoxymethyl)phenyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79911557
4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pyridin-2-amine
CID 136535179
N-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79915639
N-[(3-chloro-4-pyridinyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103580798
2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol
CID 113394727
(3R)-N-[(3-fluoro-4-pyridinyl)methyl]-2,2-dimethyloxolan-3-amine
CID 129349345
N-[(3-fluoro-4-pyridinyl)methyl]-2,2-dimethyloxolan-3-amine
CID 126790290
(3S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 97230209

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-chloro-4-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of (3R)-N-[(3-chloro-4-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 99632685) is (3R)-N-[(3-chloro-4-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for (3R)-N-[(3-chloro-4-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for (3R)-N-[(3-chloro-4-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine is CC1(C)C[C@@H](NCc2ccncc2Cl)C(C)(C)O1.
What is the InChIKey of (3R)-N-[(3-chloro-4-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is COOJKLQBOZYZSO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-13(2)7-12(14(3,4)18-13)17-8-10-5-6-16-9-11(10)15/h5-6,9,12,17H,7-8H2,1-4H3/t12-/m1/s1.
What are the key properties of (3R)-N-[(3-chloro-4-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
(3R)-N-[(3-chloro-4-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 268.79 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-chloro-4-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 99632685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).