N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine

C16H29N3O — CID 82960066

IUPACN-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
SMILESCOCCN(c1ccc(CNCC(C)C)cn1)C(C)C
InChIInChI=1S/C16H29N3O/c1-13(2)10-17-11-15-6-7-16(18-12-15)19(14(3)4)8-9-20-5/h6-7,12-14,17H,8-11H2,1-5H3
InChIKeyXFMJBPHHAKYDDS-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.69
Rot. Bonds9

About N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine

N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine (PubChem CID 82960066) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
PubChem CID82960066
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
SMILESCOCCN(c1ccc(CNCC(C)C)cn1)C(C)C
InChIInChI=1S/C16H29N3O/c1-13(2)10-17-11-15-6-7-16(18-12-15)19(14(3)4)8-9-20-5/h6-7,12-14,17H,8-11H2,1-5H3
InChIKeyXFMJBPHHAKYDDS-UHFFFAOYSA-N
XLogP2.69
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyrazin-2-amine
CID 107380720
N-cyclopropyl-N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62295141
N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine
CID 62289550
5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282303
N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 81057672
5-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)pyridin-2-amine
CID 62287077
N-butan-2-yl-N-butyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
CID 80632466
N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62448969
N-(2,2-dimethylpropyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62287062
N,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine
CID 62292737
N-butyl-N-cyclopropyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62283589
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline
CID 63071872

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine (CID 82960066) is N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine is COCCN(c1ccc(CNCC(C)C)cn1)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine?
The InChIKey is XFMJBPHHAKYDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13(2)10-17-11-15-6-7-16(18-12-15)19(14(3)4)8-9-20-5/h6-7,12-14,17H,8-11H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine?
N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 82960066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).