N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine

C17H31N3O — CID 80631433

IUPACN-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCOCCN(CC(C)C)c1ncc(CNC(C)C)cc1C
InChIInChI=1S/C17H31N3O/c1-13(2)12-20(7-8-21-6)17-15(5)9-16(11-19-17)10-18-14(3)4/h9,11,13-14,18H,7-8,10,12H2,1-6H3
InChIKeyCKYMHODHFSCKCK-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.00
Rot. Bonds9

About N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine

N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 80631433) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID80631433
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCOCCN(CC(C)C)c1ncc(CNC(C)C)cc1C
InChIInChI=1S/C17H31N3O/c1-13(2)12-20(7-8-21-6)17-15(5)9-16(11-19-17)10-18-14(3)4/h9,11,13-14,18H,7-8,10,12H2,1-6H3
InChIKeyCKYMHODHFSCKCK-UHFFFAOYSA-N
XLogP3.00
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(2-methoxyethyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80630602
5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62282182
N,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80631971
N-ethyl-N-(2-ethylbutyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80632647
N,3-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80635331
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 80629569
N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine
CID 80630535
2-[ethyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]acetamide
CID 103103251
3-chloro-N-cyclopropyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62293030
N-(3-methoxypropyl)-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine
CID 80636357
N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-3-methyl-N-propylpyridin-2-amine
CID 80632816
5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114849511

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 80631433) is N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine is COCCN(CC(C)C)c1ncc(CNC(C)C)cc1C.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is CKYMHODHFSCKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-13(2)12-20(7-8-21-6)17-15(5)9-16(11-19-17)10-18-14(3)4/h9,11,13-14,18H,7-8,10,12H2,1-6H3.
What are the key properties of N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 293.46 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 80631433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).