6-[(tert-butylamino)methyl]-5-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine

C16H26ClN3O — CID 103340062

IUPAC6-[(tert-butylamino)methyl]-5-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine
SMILESC=CCN(CCOC)c1ccc(Cl)c(CNC(C)(C)C)n1
InChIInChI=1S/C16H26ClN3O/c1-6-9-20(10-11-21-5)15-8-7-13(17)14(19-15)12-18-16(2,3)4/h6-8,18H,1,9-12H2,2-5H3
InChIKeyWSSKAWIPXYUYRA-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.26
Rot. Bonds8

About 6-[(tert-butylamino)methyl]-5-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine

6-[(tert-butylamino)methyl]-5-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine (PubChem CID 103340062) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 6-[(tert-butylamino)methyl]-5-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine.

Molecular Properties

Compound Name6-[(tert-butylamino)methyl]-5-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine
PubChem CID103340062
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name6-[(tert-butylamino)methyl]-5-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine
SMILESC=CCN(CCOC)c1ccc(Cl)c(CNC(C)(C)C)n1
InChIInChI=1S/C16H26ClN3O/c1-6-9-20(10-11-21-5)15-8-7-13(17)14(19-15)12-18-16(2,3)4/h6-8,18H,1,9-12H2,2-5H3
InChIKeyWSSKAWIPXYUYRA-UHFFFAOYSA-N
XLogP3.26
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.26
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-[[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62291624
4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enyl-1,3-oxazol-2-amine
CID 103340178
5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-amine
CID 103340085
6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-phenylpyridin-2-amine
CID 62284232
N-(2-methoxyethyl)-5-(methylaminomethyl)-N-prop-2-enylpyridin-2-amine
CID 103340163
N-(2-methoxyethyl)-6-methyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-2-amine
CID 103340081
N'-[6-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699864
6-(aminomethyl)-5-chloro-N,N-bis(prop-2-enyl)pyridin-2-amine
CID 62299092
6-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridazin-3-amine
CID 103340205
6-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine
CID 62283149
5-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine
CID 55055083
6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 62283705

Frequently Asked Questions

What is the IUPAC name of 6-[(tert-butylamino)methyl]-5-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine?
The IUPAC name of 6-[(tert-butylamino)methyl]-5-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine (CID 103340062) is 6-[(tert-butylamino)methyl]-5-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine.
What is the SMILES notation for 6-[(tert-butylamino)methyl]-5-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine?
The canonical SMILES for 6-[(tert-butylamino)methyl]-5-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine is C=CCN(CCOC)c1ccc(Cl)c(CNC(C)(C)C)n1.
What is the InChIKey of 6-[(tert-butylamino)methyl]-5-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine?
The InChIKey is WSSKAWIPXYUYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-6-9-20(10-11-21-5)15-8-7-13(17)14(19-15)12-18-16(2,3)4/h6-8,18H,1,9-12H2,2-5H3.
What are the key properties of 6-[(tert-butylamino)methyl]-5-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine?
6-[(tert-butylamino)methyl]-5-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine has a molecular weight of 311.86 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(tert-butylamino)methyl]-5-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine is sourced from PubChem (CID 103340062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).