N-[(6-chloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine

C14H22ClN3 — CID 79314477

IUPACN-[(6-chloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
SMILESCCN1CCCC1CN(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C14H22ClN3/c1-3-18-8-4-5-13(18)11-17(2)10-12-6-7-14(15)16-9-12/h6-7,9,13H,3-5,8,10-11H2,1-2H3
InChIKeyMTNICOTZJONTBF-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.65
Rot. Bonds5

About N-[(6-chloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine

N-[(6-chloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine (PubChem CID 79314477) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
PubChem CID79314477
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
SMILESCCN1CCCC1CN(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C14H22ClN3/c1-3-18-8-4-5-13(18)11-17(2)10-12-6-7-14(15)16-9-12/h6-7,9,13H,3-5,8,10-11H2,1-2H3
InChIKeyMTNICOTZJONTBF-UHFFFAOYSA-N
XLogP2.65
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 79312532
N-[(4,6-dichloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 116519037
N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303419
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63866570
3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 79319665
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-fluoroaniline
CID 112646219
N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79312971
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 79313468
[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 60582294
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline
CID 79303507
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline
CID 79303405

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine (CID 79314477) is N-[(6-chloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine is CCN1CCCC1CN(C)Cc1ccc(Cl)nc1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
The InChIKey is MTNICOTZJONTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-3-18-8-4-5-13(18)11-17(2)10-12-6-7-14(15)16-9-12/h6-7,9,13H,3-5,8,10-11H2,1-2H3.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
N-[(6-chloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine has a molecular weight of 267.80 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 79314477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).