5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine

C13H22ClN3 — CID 114925371

IUPAC5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCCN(C)c1cc(CNCC(C)C)c(Cl)cn1
InChIInChI=1S/C13H22ClN3/c1-5-17(4)13-6-11(12(14)9-16-13)8-15-7-10(2)3/h6,9-10,15H,5,7-8H2,1-4H3
InChIKeyITCVWRMCKSQNMB-UHFFFAOYSA-N
MW255.79 g/mol
LogP2.94
Rot. Bonds6

About 5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine

5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 114925371) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID114925371
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCCN(C)c1cc(CNCC(C)C)c(Cl)cn1
InChIInChI=1S/C13H22ClN3/c1-5-17(4)13-6-11(12(14)9-16-13)8-15-7-10(2)3/h6,9-10,15H,5,7-8H2,1-4H3
InChIKeyITCVWRMCKSQNMB-UHFFFAOYSA-N
XLogP2.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-methyl-4-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
CID 114925131
5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925419
5-chloro-N-cyclopropyl-N-ethyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925446
4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine
CID 114925367
5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 114925130
5-chloro-N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 114926105
5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine
CID 114925412
5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 114925483
5-chloro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114925475
N-[[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927432
5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 114925750
N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927694

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 114925371) is 5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine is CCN(C)c1cc(CNCC(C)C)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is ITCVWRMCKSQNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-5-17(4)13-6-11(12(14)9-16-13)8-15-7-10(2)3/h6,9-10,15H,5,7-8H2,1-4H3.
What are the key properties of 5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine?
5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine has a molecular weight of 255.79 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 114925371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).