N-(2-methoxyethyl)-2-methyl-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine

C17H29N3O — CID 103340214

IUPACN-(2-methoxyethyl)-2-methyl-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine
SMILESC=CCN(CCOC)c1cc(C)ncc1CNCC(C)C
InChIInChI=1S/C17H29N3O/c1-6-7-20(8-9-21-5)17-10-15(4)19-13-16(17)12-18-11-14(2)3/h6,10,13-14,18H,1,7-9,11-12H2,2-5H3
InChIKeyOZVRWKSFLHKOOQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.77
Rot. Bonds10

About N-(2-methoxyethyl)-2-methyl-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine

N-(2-methoxyethyl)-2-methyl-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine (PubChem CID 103340214) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine
PubChem CID103340214
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(2-methoxyethyl)-2-methyl-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine
SMILESC=CCN(CCOC)c1cc(C)ncc1CNCC(C)C
InChIInChI=1S/C17H29N3O/c1-6-7-20(8-9-21-5)17-10-15(4)19-13-16(17)12-18-11-14(2)3/h6,10,13-14,18H,1,7-9,11-12H2,2-5H3
InChIKeyOZVRWKSFLHKOOQ-UHFFFAOYSA-N
XLogP2.77
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.77
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

N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyrazin-2-amine
CID 107381055
N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-2-methylpyridin-4-amine
CID 81247110
N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine
CID 103340117
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine
CID 103340187
2-methyl-N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine
CID 81250974
[4-[bis(2-methoxyethyl)amino]-6-methyl-3-pyridinyl]methanol
CID 81239387
N-[[4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 103340227
5-(ethylaminomethyl)-N-(3-methoxypropyl)-N,2-dimethylpyridin-4-amine
CID 81247424
N-cyclopentyl-N-ethyl-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 81249270
N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 81254130
N-ethyl-4-fluoro-N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63059193
4-methyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyrimidin-2-amine
CID 83188795

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine (CID 103340214) is N-(2-methoxyethyl)-2-methyl-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine is C=CCN(CCOC)c1cc(C)ncc1CNCC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine?
The InChIKey is OZVRWKSFLHKOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-7-20(8-9-21-5)17-10-15(4)19-13-16(17)12-18-11-14(2)3/h6,10,13-14,18H,1,7-9,11-12H2,2-5H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine?
N-(2-methoxyethyl)-2-methyl-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 2.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine is sourced from PubChem (CID 103340214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).