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

C16H27N3O — CID 103340187

IUPACN-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine
SMILESC=CCN(CCOC)c1ccnc(CNCC(C)C)c1
InChIInChI=1S/C16H27N3O/c1-5-8-19(9-10-20-4)16-6-7-18-15(11-16)13-17-12-14(2)3/h5-7,11,14,17H,1,8-10,12-13H2,2-4H3
InChIKeyLXCZBPNEBSFZFG-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.47
Rot. Bonds10

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

N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine (PubChem CID 103340187) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine
PubChem CID103340187
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine
SMILESC=CCN(CCOC)c1ccnc(CNCC(C)C)c1
InChIInChI=1S/C16H27N3O/c1-5-8-19(9-10-20-4)16-6-7-18-15(11-16)13-17-12-14(2)3/h5-7,11,14,17H,1,8-10,12-13H2,2-4H3
InChIKeyLXCZBPNEBSFZFG-UHFFFAOYSA-N
XLogP2.47
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.47
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)-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
N-(2-methoxyethyl)-2-methyl-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine
CID 103340214
N-methyl-2-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine
CID 62284741
N-(2-ethoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 81074807
2-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-4-amine
CID 62285332
2-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine
CID 55055081
N-methyl-N-(3-methylbutan-2-yl)-2-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 62284127
3-fluoro-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine
CID 105388723
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 104566255
N-ethyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294097
N-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 63940070

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine (CID 103340187) is N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine is C=CCN(CCOC)c1ccnc(CNCC(C)C)c1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine?
The InChIKey is LXCZBPNEBSFZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-8-19(9-10-20-4)16-6-7-18-15(11-16)13-17-12-14(2)3/h5-7,11,14,17H,1,8-10,12-13H2,2-4H3.
What are the key properties of N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine?
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 2.47, 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-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine is sourced from PubChem (CID 103340187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).