5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine

C14H24ClN3 — CID 114925483

IUPAC5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
SMILESCCCCCN(C)c1cc(CNCC)c(Cl)cn1
InChIInChI=1S/C14H24ClN3/c1-4-6-7-8-18(3)14-9-12(10-16-5-2)13(15)11-17-14/h9,11,16H,4-8,10H2,1-3H3
InChIKeyYKXRNMYIOXQOMH-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.47
Rot. Bonds8

About 5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine

5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine (PubChem CID 114925483) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
PubChem CID114925483
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
SMILESCCCCCN(C)c1cc(CNCC)c(Cl)cn1
InChIInChI=1S/C14H24ClN3/c1-4-6-7-8-18(3)14-9-12(10-16-5-2)13(15)11-17-14/h9,11,16H,4-8,10H2,1-3H3
InChIKeyYKXRNMYIOXQOMH-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 114926105
5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 114925130
5-chloro-4-(ethylaminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 114925592
5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 114925750
N,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine
CID 114925296
5-chloro-4-(ethylaminomethyl)-N-methyl-N-phenylpyridin-2-amine
CID 114924976
N'-[4-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 114926497
4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 62280087
5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine
CID 114920828
5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine
CID 114925867
5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925371
5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 62278735

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine?
The IUPAC name of 5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine (CID 114925483) is 5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine.
What is the SMILES notation for 5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine?
The canonical SMILES for 5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine is CCCCCN(C)c1cc(CNCC)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine?
The InChIKey is YKXRNMYIOXQOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-4-6-7-8-18(3)14-9-12(10-16-5-2)13(15)11-17-14/h9,11,16H,4-8,10H2,1-3H3.
What are the key properties of 5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine?
5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine has a molecular weight of 269.82 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine is sourced from PubChem (CID 114925483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).