N-(2-methoxyethyl)-6-methyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-2-amine

C16H27N3O — CID 103340081

IUPACN-(2-methoxyethyl)-6-methyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-2-amine
SMILESC=CCN(CCOC)c1ccc(CNC(C)C)c(C)n1
InChIInChI=1S/C16H27N3O/c1-6-9-19(10-11-20-5)16-8-7-15(14(4)18-16)12-17-13(2)3/h6-8,13,17H,1,9-12H2,2-5H3
InChIKeyRJHCKCXAMRXRGC-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.53
Rot. Bonds9

About N-(2-methoxyethyl)-6-methyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-2-amine

N-(2-methoxyethyl)-6-methyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-2-amine (PubChem CID 103340081) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-methyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-methyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-2-amine
PubChem CID103340081
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(2-methoxyethyl)-6-methyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-2-amine
SMILESC=CCN(CCOC)c1ccc(CNC(C)C)c(C)n1
InChIInChI=1S/C16H27N3O/c1-6-9-19(10-11-20-5)16-8-7-15(14(4)18-16)12-17-13(2)3/h6-8,13,17H,1,9-12H2,2-5H3
InChIKeyRJHCKCXAMRXRGC-UHFFFAOYSA-N
XLogP2.53
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[(tert-butylamino)methyl]-5-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine
CID 103340062
N-(2-methoxyethyl)-5-(methylaminomethyl)-N-prop-2-enylpyridin-2-amine
CID 103340163
4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine
CID 103339243
5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-amine
CID 103340085
6-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridazin-3-amine
CID 103340205
N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine
CID 103340117
N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyrazin-2-amine
CID 107381055
5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114849511
[2-[2-methoxyethyl(prop-2-enyl)amino]quinolin-4-yl]methanol
CID 103340021
5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114926132
N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 66451039
N-(2-methoxyethyl)-N-propan-2-yl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
CID 82952712

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-methyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-6-methyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-2-amine (CID 103340081) is N-(2-methoxyethyl)-6-methyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-methyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-methyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-2-amine is C=CCN(CCOC)c1ccc(CNC(C)C)c(C)n1.
What is the InChIKey of N-(2-methoxyethyl)-6-methyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-2-amine?
The InChIKey is RJHCKCXAMRXRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-9-19(10-11-20-5)16-8-7-15(14(4)18-16)12-17-13(2)3/h6-8,13,17H,1,9-12H2,2-5H3.
What are the key properties of N-(2-methoxyethyl)-6-methyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-2-amine?
N-(2-methoxyethyl)-6-methyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-methyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-2-amine is sourced from PubChem (CID 103340081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).