N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine

C15H21N3O — CID 115208337

IUPACN-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine
SMILESCc1nc2ccc(CN(C)CC3CCCN3)cc2o1
InChIInChI=1S/C15H21N3O/c1-11-17-14-6-5-12(8-15(14)19-11)9-18(2)10-13-4-3-7-16-13/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3
InChIKeyGBVAJZBADSPNCR-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.32
Rot. Bonds4

About N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine

N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine (PubChem CID 115208337) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine
PubChem CID115208337
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine
SMILESCc1nc2ccc(CN(C)CC3CCCN3)cc2o1
InChIInChI=1S/C15H21N3O/c1-11-17-14-6-5-12(8-15(14)19-11)9-18(2)10-13-4-3-7-16-13/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3
InChIKeyGBVAJZBADSPNCR-UHFFFAOYSA-N
XLogP2.32
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 82495132
N-methyl-1-pyrrolidin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)methanamine
CID 115208315
[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol
CID 115229195
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613733
6-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]-3H-1,3-benzoxazol-2-one
CID 115208343
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 61412988
N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 115208323
4-[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]butan-1-ol
CID 115217706
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-[(2R)-piperidin-2-yl]methanamine
CID 97164232
N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 115191188
N-ethyl-N'-methyl-N'-[(2-methyl-1,3-benzoxazol-6-yl)methyl]ethane-1,2-diamine
CID 115205939

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine (CID 115208337) is N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine is Cc1nc2ccc(CN(C)CC3CCCN3)cc2o1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine?
The InChIKey is GBVAJZBADSPNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-17-14-6-5-12(8-15(14)19-11)9-18(2)10-13-4-3-7-16-13/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine?
N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 115208337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).