N-(2-bromoethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentanamine

C15H23BrN2O — CID 82895707

IUPACN-(2-bromoethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentanamine
SMILESCOc1cc(C)nc(CN(CCBr)C2CCCC2)c1
InChIInChI=1S/C15H23BrN2O/c1-12-9-15(19-2)10-13(17-12)11-18(8-7-16)14-5-3-4-6-14/h9-10,14H,3-8,11H2,1-2H3
InChIKeyCONSFMBUEDPRMB-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.54
Rot. Bonds6

About N-(2-bromoethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentanamine

N-(2-bromoethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentanamine (PubChem CID 82895707) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentanamine
PubChem CID82895707
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-(2-bromoethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentanamine
SMILESCOc1cc(C)nc(CN(CCBr)C2CCCC2)c1
InChIInChI=1S/C15H23BrN2O/c1-12-9-15(19-2)10-13(17-12)11-18(8-7-16)14-5-3-4-6-14/h9-10,14H,3-8,11H2,1-2H3
InChIKeyCONSFMBUEDPRMB-UHFFFAOYSA-N
XLogP3.54
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 82895979
4-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-N-propylcyclohexane-1,4-diamine
CID 82887262
3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 82892878
N-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 82886634
5-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methylpentan-1-amine
CID 107204889
2-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine
CID 102637568
N-(2-bromoethyl)-N-[(3,5-dimethylphenyl)methyl]cyclohexanamine
CID 80673272
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid
CID 82893491
N-(2-bromoethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentanamine
CID 80672726
N-cyclopentyloxy-1-(4-methoxy-6-methyl-2-pyridinyl)methanamine
CID 83235465
N-(2-bromoethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopentanamine
CID 80672449
N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 82893709

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentanamine?
The IUPAC name of N-(2-bromoethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentanamine (CID 82895707) is N-(2-bromoethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentanamine?
The canonical SMILES for N-(2-bromoethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentanamine is COc1cc(C)nc(CN(CCBr)C2CCCC2)c1.
What is the InChIKey of N-(2-bromoethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentanamine?
The InChIKey is CONSFMBUEDPRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-12-9-15(19-2)10-13(17-12)11-18(8-7-16)14-5-3-4-6-14/h9-10,14H,3-8,11H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentanamine?
N-(2-bromoethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentanamine has a molecular weight of 327.27 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentanamine is sourced from PubChem (CID 82895707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).