N-methyl-N-(2-methyloxolan-3-yl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine

C16H27N3O — CID 82754507

IUPACN-methyl-N-(2-methyloxolan-3-yl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1ccnc(N(C)C2CCOC2C)c1
InChIInChI=1S/C16H27N3O/c1-12(2)10-17-11-14-5-7-18-16(9-14)19(4)15-6-8-20-13(15)3/h5,7,9,12-13,15,17H,6,8,10-11H2,1-4H3
InChIKeyMIGCPBOUMIEYIH-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.44
Rot. Bonds6

About N-methyl-N-(2-methyloxolan-3-yl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine

N-methyl-N-(2-methyloxolan-3-yl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 82754507) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-methyl-N-(2-methyloxolan-3-yl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methyloxolan-3-yl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID82754507
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-methyl-N-(2-methyloxolan-3-yl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1ccnc(N(C)C2CCOC2C)c1
InChIInChI=1S/C16H27N3O/c1-12(2)10-17-11-14-5-7-18-16(9-14)19(4)15-6-8-20-13(15)3/h5,7,9,12-13,15,17H,6,8,10-11H2,1-4H3
InChIKeyMIGCPBOUMIEYIH-UHFFFAOYSA-N
XLogP2.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62280559
N-methyl-4-[(2-methylpropylamino)methyl]-N-phenylpyridin-2-amine
CID 62286623
N-methyl-4-[(2-methylpropylamino)methyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62282252
N-cyclopropyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282660
N,N,N'-trimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine
CID 63699684
N-(3-fluorophenyl)-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62292926
N-cyclopentyl-4-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62280213
N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 62281991
1-[6-[methyl-(2-methyloxolan-3-yl)amino]-3-pyridinyl]ethanol
CID 82742695
4-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-yl)pyridin-2-amine
CID 62282950
N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 115987705
N'-ethyl-N,N-dimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine
CID 102997386

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 82754507) is N-methyl-N-(2-methyloxolan-3-yl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-N-(2-methyloxolan-3-yl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-N-(2-methyloxolan-3-yl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine is CC(C)CNCc1ccnc(N(C)C2CCOC2C)c1.
What is the InChIKey of N-methyl-N-(2-methyloxolan-3-yl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is MIGCPBOUMIEYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)10-17-11-14-5-7-18-16(9-14)19(4)15-6-8-20-13(15)3/h5,7,9,12-13,15,17H,6,8,10-11H2,1-4H3.
What are the key properties of N-methyl-N-(2-methyloxolan-3-yl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine?
N-methyl-N-(2-methyloxolan-3-yl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyloxolan-3-yl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 82754507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).