N-methyl-1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride

C11H21Cl2N3O — CID 119921868

IUPACN-methyl-1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
SMILESCNCC1CCN(Cc2ncc(C)o2)C1.Cl.Cl
InChIInChI=1S/C11H19N3O.2ClH/c1-9-5-13-11(15-9)8-14-4-3-10(7-14)6-12-2;;/h5,10,12H,3-4,6-8H2,1-2H3;2*1H
InChIKeyYWQDVVDZNPGUNA-UHFFFAOYSA-N
MW282.21 g/mol
LogP1.87
Rot. Bonds4

About N-methyl-1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride

N-methyl-1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride (PubChem CID 119921868) has the molecular formula C11H21Cl2N3O and a molecular weight of 282.21 g/mol. Its IUPAC name is N-methyl-1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
PubChem CID119921868
Molecular FormulaC11H21Cl2N3O
Molecular Weight282.21 g/mol
Exact Mass281.11
IUPAC NameN-methyl-1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
SMILESCNCC1CCN(Cc2ncc(C)o2)C1.Cl.Cl
InChIInChI=1S/C11H19N3O.2ClH/c1-9-5-13-11(15-9)8-14-4-3-10(7-14)6-12-2;;/h5,10,12H,3-4,6-8H2,1-2H3;2*1H
InChIKeyYWQDVVDZNPGUNA-UHFFFAOYSA-N
XLogP1.87
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(3S)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 129403624
N-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 81319065
1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267470
2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376781
1-[1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 81493001
1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 61204064
1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838446
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263347
1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922124
1-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922215
N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanamine
CID 63249055

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride?
The IUPAC name of N-methyl-1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride (CID 119921868) is N-methyl-1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride.
What is the SMILES notation for N-methyl-1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride?
The canonical SMILES for N-methyl-1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride is CNCC1CCN(Cc2ncc(C)o2)C1.Cl.Cl.
What is the InChIKey of N-methyl-1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride?
The InChIKey is YWQDVVDZNPGUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O.2ClH/c1-9-5-13-11(15-9)8-14-4-3-10(7-14)6-12-2;;/h5,10,12H,3-4,6-8H2,1-2H3;2*1H.
What are the key properties of N-methyl-1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride?
N-methyl-1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride has a molecular weight of 282.21 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride is sourced from PubChem (CID 119921868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).