4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine

C13H22ClN3 — CID 114925367

IUPAC4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine
SMILESCCN(C)c1cc(CNC(C)(C)C)c(Cl)cn1
InChIInChI=1S/C13H22ClN3/c1-6-17(5)12-7-10(11(14)9-15-12)8-16-13(2,3)4/h7,9,16H,6,8H2,1-5H3
InChIKeyLKJDQGDEYKSBQZ-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.08
Rot. Bonds4

About 4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine

4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine (PubChem CID 114925367) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine
PubChem CID114925367
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine
SMILESCCN(C)c1cc(CNC(C)(C)C)c(Cl)cn1
InChIInChI=1S/C13H22ClN3/c1-6-17(5)12-7-10(11(14)9-15-12)8-16-13(2,3)4/h7,9,16H,6,8H2,1-5H3
InChIKeyLKJDQGDEYKSBQZ-UHFFFAOYSA-N
XLogP3.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[4-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 114926497
4-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 114925749
5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925371
4-[(tert-butylamino)methyl]-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107401854
4-[(tert-butylamino)methyl]-5-chloro-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine
CID 114926488
5-chloro-N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 114926105
N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine
CID 114927869
5-chloro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114925475
5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 114925483
4-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-2-amine
CID 114926855
5-chloro-N-methyl-N-(2-methylbutan-2-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114926548
5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine
CID 114920828

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine (CID 114925367) is 4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine is CCN(C)c1cc(CNC(C)(C)C)c(Cl)cn1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine?
The InChIKey is LKJDQGDEYKSBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-6-17(5)12-7-10(11(14)9-15-12)8-16-13(2,3)4/h7,9,16H,6,8H2,1-5H3.
What are the key properties of 4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine?
4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine is sourced from PubChem (CID 114925367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).