4-[(tert-butylamino)methyl]-5-chloro-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine

C16H28ClN3O — CID 114926488

IUPAC4-[(tert-butylamino)methyl]-5-chloro-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine
SMILESCCOCCN(CC)c1cc(CNC(C)(C)C)c(Cl)cn1
InChIInChI=1S/C16H28ClN3O/c1-6-20(8-9-21-7-2)15-10-13(14(17)12-18-15)11-19-16(3,4)5/h10,12,19H,6-9,11H2,1-5H3
InChIKeyINRIOVSNMRZAMP-UHFFFAOYSA-N
MW313.87 g/mol
LogP3.49
Rot. Bonds8

About 4-[(tert-butylamino)methyl]-5-chloro-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine

4-[(tert-butylamino)methyl]-5-chloro-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine (PubChem CID 114926488) has the molecular formula C16H28ClN3O and a molecular weight of 313.87 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-5-chloro-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-5-chloro-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine
PubChem CID114926488
Molecular FormulaC16H28ClN3O
Molecular Weight313.87 g/mol
Exact Mass313.19
IUPAC Name4-[(tert-butylamino)methyl]-5-chloro-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine
SMILESCCOCCN(CC)c1cc(CNC(C)(C)C)c(Cl)cn1
InChIInChI=1S/C16H28ClN3O/c1-6-20(8-9-21-7-2)15-10-13(14(17)12-18-15)11-19-16(3,4)5/h10,12,19H,6-9,11H2,1-5H3
InChIKeyINRIOVSNMRZAMP-UHFFFAOYSA-N
XLogP3.49
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-ethoxyethyl)-N-ethyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926489
4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine
CID 114925367
4-[(tert-butylamino)methyl]-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107401854
N'-[4-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 114926497
5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine
CID 80637533
N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine
CID 114927869
2-N-(2-ethoxyethyl)-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 79175858
N-[[5-chloro-2-(1-ethoxypropan-2-yloxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103490459
5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114926132
4-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-2-amine
CID 114926855
[5-chloro-2-(diethylamino)-4-pyridinyl]methanol
CID 114920176
4-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 114925749

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-5-chloro-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-5-chloro-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine (CID 114926488) is 4-[(tert-butylamino)methyl]-5-chloro-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-5-chloro-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-5-chloro-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine is CCOCCN(CC)c1cc(CNC(C)(C)C)c(Cl)cn1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-5-chloro-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine?
The InChIKey is INRIOVSNMRZAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3O/c1-6-20(8-9-21-7-2)15-10-13(14(17)12-18-15)11-19-16(3,4)5/h10,12,19H,6-9,11H2,1-5H3.
What are the key properties of 4-[(tert-butylamino)methyl]-5-chloro-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine?
4-[(tert-butylamino)methyl]-5-chloro-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine has a molecular weight of 313.87 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-5-chloro-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 114926488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).